Molecule

ID:43392

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3
InChIKey
WIWIOUAFBHZLNQ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccnc1Cl
Isomeric Smiles
c1(c(nccc1)Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
15.104175
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.1374408
LogD (pH = 7.4)
1.1374427
Log P
1.1374427
Molar Refractivity
40.17
Polarizability
15.136389
Polar Surface Area
29.96
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
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Molecule Details
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References
Bioactivity
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