Molecule

ID:86660

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉ClN₂O
Molecular Mass
232.66566
Exact Mass
232.0403406
Charge
0
InChI
InChI=1S/C12H9ClN2O/c13-11-7-6-9(8-14-11)12(16)15-10-4-2-1-3-5-10/h1-8H,(H,15,16)
InChIKey
DFFRJEHSYRUIAU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cn1)C(=O)Nc1ccccc1
Isomeric Smiles
N(c1ccccc1)C(=O)c1cnc(cc1)Cl
Calculated Properties
JChem
Acid pKa
11.65435
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6716793
LogD (pH = 7.4)
2.671657
Log P
2.67168
Molar Refractivity
65.3007
Polarizability
23.976112
Polar Surface Area
41.99
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
Click here to submit data
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
暂无数据
点击上传数据
References
Bioactivity
Navigation