Molecule

ID:84821

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉ClN₂
Molecular Mass
240.68766
Exact Mass
240.04542598
Charge
0
InChI
InChI=1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H
InChIKey
OBHKONRNYCDRKM-UHFFFAOYSA-N
Canonic Smiles
Clc1nc(nc2c1cccc2)c1ccccc1
Isomeric Smiles
n1c(c2c(cccc2)nc1c1ccccc1)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.643615
LogD (pH = 7.4)
4.643633
Log P
4.6436334
Molar Refractivity
80.0777
Polarizability
28.328436
Polar Surface Area
25.78
Rotatable Bonds
1
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