Molecule

ID:52312

General Information
Structure
MolImage
Molecular Formula
C₇H₆ClNO
Molecular Mass
155.58164
Exact Mass
155.0137915
Charge
0
InChI
InChI=1S/C7H6ClNO/c8-6-4-2-1-3-5(6)7(9)10/h1-4H,(H2,9,10)
InChIKey
RBGDLYUEXLWQBZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccccc1Cl
Isomeric Smiles
C(=O)(c1c(cccc1)Cl)N
Calculated Properties
JChem
Acid pKa
13.151168
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4279306
LogD (pH = 7.4)
1.4279314
Log P
1.4279308
Molar Refractivity
39.9412
Polarizability
15.070634
Polar Surface Area
43.09
Rotatable Bonds
1
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
No Data Available
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Molecule Details
References
Bioactivity
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