Molecule

ID:51960

General Information
Structure
MolImage
Molecular Formula
C₆H₃NO₂S
Molecular Mass
153.15852
Exact Mass
152.98844934
Charge
0
InChI
InChI=1S/C6H3NO2S/c8-6(7-4-10)5-2-1-3-9-5/h1-3H
InChIKey
ILQPDHJLKUOZTC-UHFFFAOYSA-N
Canonic Smiles
S=C=NC(=O)c1ccco1
Isomeric Smiles
o1c(ccc1)C(=O)N=C=S
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.2969
LogD (pH = 7.4)
1.2969
Log P
1.2969
Molar Refractivity
38.8597
Polarizability
14.832686
Polar Surface Area
42.57
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
No Data Available
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Molecule Details
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References
Bioactivity
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