Molecule

ID:37505

General Information
Structure
MolImage
Molecular Formula
C₆H₃NS₃
Molecular Mass
185.28972
Exact Mass
184.9427621
Charge
0
InChI
InChI=1S/C6H3NS3/c8-6-4-2-1-3-7-5(4)9-10-6/h1-3H
InChIKey
MQBHSIJPOQETLE-UHFFFAOYSA-N
Canonic Smiles
S=c1ssc2c1cccn2
Isomeric Smiles
c1cnc2c(c1)c(=S)ss2
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.796979
LogD (pH = 7.4)
2.7970424
Log P
2.797043
Molar Refractivity
50.1495
Polarizability
20.154861
Polar Surface Area
12.89
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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