Molecule

ID:41799

General Information
Structure
Molecular Formula
C₁₁H₈ClNOS
Molecular Mass
237.70532
Exact Mass
237.00151256
Charge
0
InChI
InChI=1S/C11H8ClNOS/c1-7(14)10-6-13-11(15-10)8-2-4-9(12)5-3-8/h2-6H,1H3
InChIKey
CAEMSQJRTZSWLF-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)c1ncc(s1)C(=O)C
Isomeric Smiles
s1c(cnc1c1ccc(cc1)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
14.486435
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9509215
LogD (pH = 7.4)
2.9509401
Log P
2.9509404
Molar Refractivity
71.3597
Polarizability
24.009975
Polar Surface Area
29.96
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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