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Molecule
ID:125942
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₃H₆As₄O₃
Molecular Mass
389.76434
Exact Mass
389.71807805
Charge
0
InChI
InChI=1S/C3H6As4O3/c1-4-2-6-9-5(1)3-7(8-4)10-6/h1-3H2
InChIKey
MHYDZXIVBJPPAM-UHFFFAOYSA-N
Canonic Smiles
C1[As]2C[As]3O[As]1C[As](O2)O3
Isomeric Smiles
[As]12O[As]3O[As](C1)O[As](C3)C2
Calculated Properties
JChem
Acid pKa
8.857019
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.9071093
LogD (pH = 7.4)
3.892406
Log P
3.9073
Molar Refractivity
16.9835
Polarizability
23.034592
Polar Surface Area
27.69
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Molecular Spectra
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Molecule Details
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Bioactivity
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Data Source
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Arsenicin_A
PubChem
16095534
Names and Identifiers
IUPAC name
2,4,6-trioxa-1,3,5,7-tetraarsatricyclo[3.3.1.1
3
,
7
]decane
IUPAC Traditional name
arsenicin A
Synonyms
Arsenicin A
Registration numbers
CAS Number
925705-41-5
Chemspider ID
21430729
Wikipedia Title
Arsenicin_A
PubChem CID
16095534
PubChem SID
162220285
Properties
Physical Property
Melting Point
182 - 184°C
Source
Molecule Details
Wikipedia
Arsenicin_A
References
PubChem Literature
No Data Available
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Bioactivity
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