Molecule

ID:72108

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂OS
Molecular Mass
240.70926
Exact Mass
240.0124116
Charge
0
InChI
InChI=1S/C10H9ClN2OS/c1-6(11)9(14)13-10-12-7-4-2-3-5-8(7)15-10/h2-6H,1H3,(H,12,13,14)
InChIKey
PGMYTKVYVIGKNK-UHFFFAOYSA-N
Canonic Smiles
O=C(C(Cl)C)Nc1nc2c(s1)cccc2
Isomeric Smiles
c1(nc2c(s1)cccc2)NC(=O)C(Cl)C
Calculated Properties
JChem
Acid pKa
10.532981
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.141536
LogD (pH = 7.4)
3.1412365
Log P
3.1415403
Molar Refractivity
60.7121
Polarizability
24.190914
Polar Surface Area
41.99
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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