Molecule

ID:88465

General Information
Structure
MolImage
Molecular Formula
C₇H₇NOS
Molecular Mass
153.20158
Exact Mass
153.02483485
Charge
0
InChI
InChI=1S/C7H7NOS/c9-4-6-3-8-7(10-6)5-1-2-5/h3-5H,1-2H2
InChIKey
ORNIFVGIJQCIMW-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cnc(s1)C1CC1
Isomeric Smiles
s1c(cnc1C1CC1)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3797356
LogD (pH = 7.4)
1.37984
Log P
1.3798413
Molar Refractivity
39.4744
Polarizability
14.774406
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
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Molecule Details
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References
Bioactivity
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