Molecule

ID:86947

General Information
Structure
MolImage
Molecular Formula
C₈H₇NOS
Molecular Mass
165.21228
Exact Mass
165.02483485
Charge
0
InChI
InChI=1S/C8H7NOS/c1-10-8-4-2-3-7(5-8)9-6-11/h2-5H,1H3
InChIKey
WHBYCPUKGYEYFU-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1cccc(c1)OC
Isomeric Smiles
N(=C=S)c1cc(ccc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8373988
LogD (pH = 7.4)
2.8373997
Log P
2.8373997
Molar Refractivity
49.5841
Polarizability
18.546345
Polar Surface Area
21.59
Rotatable Bonds
2
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
References
Bioactivity
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