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Molecule
ID:3017
Structure
Similarity
Functional Group
Text
General Information
Structure
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Molecular Formula
HMoO₂S
Molecular Mass
161.03174
Exact Mass
162.87513327
Charge
0
InChI
InChI=1S/Mo.2O.H2S/h;;;1H2/q+1;;;/p-1
InChIKey
BDSRWPHSAKXXRG-UHFFFAOYSA-M
Canonic Smiles
S[Mo](=O)=O
Isomeric Smiles
S[Mo](=O)=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.30
LogD (pH = 5.5)
-0.30
Log P
-0.30
Rotatable Bonds
0
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Polar Surface Area
34.14
Polarizability
7.48
Molar Refractivity
9.44
LOG S
-0.63
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Properties
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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General Information
Calculated Properties
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Academic Data
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IUPAC name
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IUPAC Traditional name
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Molecular Spectra
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From Data Sources
Bioactivity
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Data Source
Academic Data
DrugBank
DB03328
PubChem
5162682
ChEBI
CHEBI:47566
Names and Identifiers
IUPAC name
molybdenumoylthiol
Synonyms
dioxothiomolybdenum(VI) ion
dioxo(sulfanyl)molybdenum
IUPAC Traditional name
@dioxothiomolybdenum(VI) ion
dioxothiomolybdenum(VI) ion
Registration numbers
PubChem SID
160966464
46508283
321904444
PubChem CID
5162682
Protein Data Bank
3o5a
1vdv
5g5h
4uhw
7dnv
3unc
3amz
3etr
3ml1
3nvz
1fiq
1v97
5y6q
3b9j
3ns1
3am9
3nrz
3uni
1jro
3nvw
3hrd
3nvv
7d6o
1fo4
4uhx
1n5x
3nvy
3una
5epg
7orc
1jrp
3zyv
5g5g
7opn
PDBeChem Database
MOS
CHEBI ID
CHEBI:47566
Related Proteins
PDB Bank
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3O5A
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1VDV
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5G5H
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4UHW
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7DNV
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3UNC
3AMZ
3ETR
3ML1
3NVZ
1FIQ
1V97
5Y6Q
3B9J
3NS1
3AM9
3NRZ
3UNI
1JRO
3NVW
3HRD
3NVV
7D6O
1FO4
4UHX
1N5X
3NVY
3UNA
5EPG
7ORC
1JRP
3ZYV
5G5G
7OPN
Molecule Details
DrugBank
DB03328
Drug information: experimental
ChEBI
CHEBI:47566
A molybdenum coordination entity consisting of a cntral molybdenum in the +5 oxidation state coordinated to two oxygens and one sulfanyl group.
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Bioactivity
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Registration numbers
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PubChem SID
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PubChem CID
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Protein Data Bank
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PDBeChem Database
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CHEBI ID