Molecule

ID:90190

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉ClN₂
Molecular Mass
192.64486
Exact Mass
192.04542598
Charge
0
InChI
InChI=1S/C10H9ClN2/c11-8-9-2-4-10(5-3-9)13-7-1-6-12-13/h1-7H,8H2
InChIKey
PAINSRDHMRYAGK-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)n1cccn1
Isomeric Smiles
n1(c2ccc(cc2)CCl)nccc1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6462493
LogD (pH = 7.4)
2.6463058
Log P
2.6463065
Molar Refractivity
54.2866
Polarizability
21.056942
Polar Surface Area
17.82
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