Molecule

ID:41743

General Information
Structure
MolImage
Molecular Formula
C₇H₆N₂OS
Molecular Mass
166.20034
Exact Mass
166.02008382
Charge
0
InChI
InChI=1S/C7H6N2OS/c1-11-7-9-6-5(10-7)3-2-4-8-6/h2-4H,1H3
InChIKey
GAIIIUMBUSZYDH-UHFFFAOYSA-N
Canonic Smiles
CSc1nc2c(o1)cccn2
Isomeric Smiles
n1c(oc2c1nccc2)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.7396644
LogD (pH = 7.4)
1.7396647
Log P
1.7396647
Molar Refractivity
44.3712
Polarizability
17.194315
Polar Surface Area
38.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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