Molecule

ID:89951

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁Cl₂N₃
Molecular Mass
278.22124
Exact Mass
277.11125305
Charge
0
InChI
InChI=1S/C12H19N3.2ClH/c13-14-12-6-8-15(9-7-12)10-11-4-2-1-3-5-11;;/h1-5,12,14H,6-10,13H2;2*1H
InChIKey
ZZCHUBZBYAFNPJ-UHFFFAOYSA-N
Canonic Smiles
NNC1CCN(CC1)Cc1ccccc1.Cl.Cl
Isomeric Smiles
N1(CCC(CC1)NN)Cc1ccccc1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-2.5315747
LogD (pH = 7.4)
-1.0021678
Log P
0.941165
Molar Refractivity
74.9594
Polarizability
25.06198
Polar Surface Area
41.29
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