Molecule

ID:54964

General Information
Structure
MolImage
Molecular Formula
C₇H₅NOS
Molecular Mass
151.1857
Exact Mass
151.00918479
Charge
0
InChI
InChI=1S/C7H5NOS/c9-7-5-3-1-2-4-6(5)10-8-7/h1-4H,(H,8,9)
InChIKey
DMSMPAJRVJJAGA-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]sc2c1cccc2
Isomeric Smiles
c1ccc2c(c1)c(=O)[nH]s2
Calculated Properties
JChem
LogD (pH = 7.4)
1.35
LogD (pH = 5.5)
1.36
Log P
1.36
Rotatable Bonds
0
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
9.50
Polar Surface Area
29.10
Polarizability
14.49
Molar Refractivity
39.51
LOG S
-2.68
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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