Molecule

ID:35934

General Information
Structure
MolImage
Molecular Formula
C₈H₇NOS
Molecular Mass
165.21228
Exact Mass
165.02483485
Charge
0
InChI
InChI=1S/C8H7NOS/c1-11-8-4-2-7(3-5-8)9-6-10/h2-5H,1H3
InChIKey
QNKQBDZVEKZFBN-UHFFFAOYSA-N
Canonic Smiles
CSc1ccc(cc1)N=C=O
Isomeric Smiles
C(=Nc1ccc(SC)cc1)=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.5110185
LogD (pH = 7.4)
2.5110185
Log P
2.5110185
Molar Refractivity
47.8889
Polarizability
17.516422
Polar Surface Area
29.43
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
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Molecule Details
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References
Bioactivity
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