Molecule

ID:53992

General Information
Structure
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c1-5(10)7-4-6(8)2-3-9-7/h2-4H,1H3
InChIKey
BHKULLGEGMMZQD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cc(Cl)ccn1
Isomeric Smiles
c1cnc(cc1Cl)C(=O)C
Calculated Properties
JChem
Acid pKa
14.839067
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3030506
LogD (pH = 7.4)
1.3031151
Log P
1.303116
Molar Refractivity
38.7367
Polarizability
15.071058
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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