Molecule

ID:89699

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-7-3-6(10)2-1-5(7)4-9/h1-3H,10H2
InChIKey
ZFBKYGFPUCUYIF-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1Cl)N
Isomeric Smiles
N#Cc1c(cc(cc1)N)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6044495
LogD (pH = 7.4)
1.6044606
Log P
1.6044607
Molar Refractivity
41.2848
Polarizability
15.1919985
Polar Surface Area
49.81
Rotatable Bonds
0
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