Molecule

ID:43308

General Information
Structure
MolImage
Molecular Formula
C₇H₅NOS
Molecular Mass
151.1857
Exact Mass
151.00918479
Charge
0
InChI
InChI=1S/C7H5NOS/c8-4-6(5-9)7-2-1-3-10-7/h1-3,5,9H/b6-5+
InChIKey
FQMRUXPSESSECC-AATRIKPKSA-N
Canonic Smiles
O/C=C(/c1cccs1)\C#N
Isomeric Smiles
C(=C\O)(/c1sccc1)\C#N
Calculated Properties
JChem
Acid pKa
6.899132
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.731137
LogD (pH = 7.4)
1.128535
Log P
1.7481195
Molar Refractivity
39.5904
Polarizability
14.820693
Polar Surface Area
44.02
Rotatable Bonds
1
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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