Molecule

ID:79624

General Information
Structure
Molecular Formula
C₁₂H₁₃ClN₂
Molecular Mass
220.69802
Exact Mass
220.07672611
Charge
0
InChI
InChI=1S/C12H12N2.ClH/c13-12(10-6-2-1-3-7-10)11-8-4-5-9-14-11;/h1-9,12H,13H2;1H
InChIKey
GVGSFONXPJCBIS-UHFFFAOYSA-N
Canonic Smiles
NC(c1ccccn1)c1ccccc1.Cl
Isomeric Smiles
n1c(cccc1)C(c1ccccc1)N.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.57473326
LogD (pH = 7.4)
1.1116756
Log P
1.8992431
Molar Refractivity
56.2102
Polarizability
22.437735
Polar Surface Area
38.91
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
暂无数据
点击上传数据
References
Bioactivity
Navigation