Molecule

ID:82240

General Information
Structure
MolImage
Molecular Formula
C₅H₅NOS
Molecular Mass
127.1643
Exact Mass
127.00918479
Charge
0
InChI
InChI=1S/C5H5NOS/c1-4-3-8-5(2-7)6-4/h2-3H,1H3
InChIKey
NYMCQLLAIMUVSY-UHFFFAOYSA-N
Canonic Smiles
Cc1csc(n1)C=O
Isomeric Smiles
s1c(nc(c1)C)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1421436
LogD (pH = 7.4)
1.1421487
Log P
1.1421487
Molar Refractivity
31.9059
Polarizability
11.83427
Polar Surface Area
29.96
Rotatable Bonds
1
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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