Molecule

ID:31573

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₁Cl₂N₃
Molecular Mass
278.22124
Exact Mass
277.11125305
Charge
0
InChI
InChI=1S/C12H19N3.2ClH/c1-15-7-4-12(5-8-15)14-10-11-3-2-6-13-9-11;;/h2-3,6,9,12,14H,4-5,7-8,10H2,1H3;2*1H
InChIKey
AYZXWTJXJWXNBF-UHFFFAOYSA-N
Canonic Smiles
CN1CCC(CC1)NCc1cccnc1.Cl.Cl
Isomeric Smiles
N1(CCC(NCc2cnccc2)CC1)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-4.7143707
LogD (pH = 7.4)
-2.2036183
Log P
0.34072834
Molar Refractivity
62.6002
Polarizability
24.663136
Polar Surface Area
28.16
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