Molecule

ID:136402

General Information
Structure
MolImage
Molecular Formula
C₁₂H₈ClNO
Molecular Mass
217.65102
Exact Mass
217.02944156
Charge
0
InChI
InChI=1S/C12H8ClNO/c13-11-5-1-3-9(7-11)12(15)10-4-2-6-14-8-10/h1-8H
InChIKey
MDGKXQYPOIIMHW-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)C(=O)c1cccnc1
Isomeric Smiles
c1cc(cc(c1)Cl)C(=O)c1cccnc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8124094
LogD (pH = 7.4)
2.8188877
Log P
2.8189712
Molar Refractivity
59.2814
Polarizability
22.940409
Polar Surface Area
29.96
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation