Molecule

ID:43963

General Information
Structure
MolImage
Molecular Formula
C₇H₅NOS
Molecular Mass
151.1857
Exact Mass
151.00918479
Charge
0
InChI
InChI=1S/C7H5NOS/c8-3-1-7(9)6-2-4-10-5-6/h2,4-5H,1H2
InChIKey
IWPZODDPZNLDAM-UHFFFAOYSA-N
Canonic Smiles
N#CCC(=O)c1cscc1
Isomeric Smiles
c1(ccsc1)C(=O)CC#N
Calculated Properties
JChem
Acid pKa
8.278321
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2607903
LogD (pH = 7.4)
1.2075924
Log P
1.2615126
Molar Refractivity
38.89
Polarizability
14.452456
Polar Surface Area
40.86
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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