Molecule

ID:89253

General Information
Structure
MolImage
Molecular Formula
C₇H₅ClN₂
Molecular Mass
152.581
Exact Mass
152.01412585
Charge
0
InChI
InChI=1S/C7H5ClN2/c8-6-2-1-3-7(10)5(6)4-9/h1-3H,10H2
InChIKey
MEJVTQKBWPYBFG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)cccc1Cl
Isomeric Smiles
Nc1c(c(ccc1)Cl)C#N
Calculated Properties
JChem
Acid pKa
19.64157
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.604395
LogD (pH = 7.4)
1.6044599
Log P
1.6044607
Molar Refractivity
41.2848
Polarizability
15.193646
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