Molecule

ID:74537

General Information
Structure
MolImage
Molecular Formula
C₇H₄OS₂
Molecular Mass
168.23606
Exact Mass
167.97035675
Charge
0
InChI
InChI=1S/C7H4OS2/c8-4-5-3-7-6(10-5)1-2-9-7/h1-4H
InChIKey
JKVPCDAKZCFJBU-UHFFFAOYSA-N
Canonic Smiles
O=Cc1sc2c(c1)scc2
Isomeric Smiles
s1c2c(sc(c2)C=O)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.5807605
LogD (pH = 7.4)
2.5807605
Log P
2.5807605
Molar Refractivity
42.6561
Polarizability
17.075079
Polar Surface Area
17.07
Rotatable Bonds
1
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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