Molecule

ID:81008

General Information
Structure
MolImage
Molecular Formula
C₇H₅NOS
Molecular Mass
151.1857
Exact Mass
151.00918479
Charge
0
InChI
InChI=1S/C7H5NOS/c8-4-3-6(9)7-2-1-5-10-7/h1-2,5H,3H2
InChIKey
XWWUQBHVRILEPB-UHFFFAOYSA-N
Canonic Smiles
N#CCC(=O)c1cccs1
Isomeric Smiles
N#CCC(=O)c1cccs1
Calculated Properties
JChem
Acid pKa
11.912672
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3939519
LogD (pH = 7.4)
1.3939387
Log P
1.393952
Molar Refractivity
38.6741
Polarizability
14.455553
Polar Surface Area
40.86
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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