Molecule

ID:34735

General Information
Structure
Molecular Formula
C₈H₁₄Cl₂N₂
Molecular Mass
209.11616
Exact Mass
208.05340382
Charge
0
InChI
InChI=1S/C8H12N2.2ClH/c1-9-5-2-8-3-6-10-7-4-8;;/h3-4,6-7,9H,2,5H2,1H3;2*1H
InChIKey
IYZYBOCTDVWOKY-UHFFFAOYSA-N
Canonic Smiles
CNCCc1ccncc1.Cl.Cl
Isomeric Smiles
n1ccc(CCNC)cc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.8253207
LogD (pH = 7.4)
-1.894605
Log P
0.6025834
Molar Refractivity
41.9041
Polarizability
16.418547
Polar Surface Area
24.92
Rotatable Bonds
3
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