Molecule

ID:133709

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₃ClN₂O
Molecular Mass
260.71882
Exact Mass
260.07164073
Charge
0
InChI
InChI=1S/C14H13ClN2O/c1-9-7-13(11(15)8-12(9)16)17-14(18)10-5-3-2-4-6-10/h2-8H,16H2,1H3,(H,17,18)
InChIKey
OIDXADKOPPNJOB-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(N)c(cc1NC(=O)c1ccccc1)C
Isomeric Smiles
Cc1cc(c(cc1N)Cl)NC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.6716
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
3.3519564
LogD (pH = 7.4)
3.353627
Log P
3.3536708
Molar Refractivity
76.1379
Polarizability
27.712996
Polar Surface Area
55.12
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
No Data Available
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Molecule Details
References
Bioactivity
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