Molecule

ID:42714

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇NOS
Molecular Mass
189.23368
Exact Mass
189.02483485
Charge
0
InChI
InChI=1S/C10H7NOS/c12-6-8-2-1-4-11-10(8)9-3-5-13-7-9/h1-7H
InChIKey
HAUWSNYPEZPXNX-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccnc1c1ccsc1
Isomeric Smiles
c1(c2c(C=O)cccn2)cscc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.279133
LogD (pH = 7.4)
2.2815623
Log P
2.2815933
Molar Refractivity
52.3551
Polarizability
20.939741
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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