Molecule

ID:19435

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₂Cl₂N₂
Molecular Mass
277.23318
Exact Mass
276.11600407
Charge
0
InChI
InChI=1S/C13H20N2.2ClH/c1-15(2)13-5-3-11(4-6-13)12-7-9-14-10-8-12;;/h3-6,12,14H,7-10H2,1-2H3;2*1H
InChIKey
JPDNJYIUHQHAHR-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc(cc1)C1CCNCC1)C.Cl.Cl
Isomeric Smiles
c1(N(C)C)ccc(cc1)C1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2168698
LogD (pH = 7.4)
-0.4212997
Log P
2.1863546
Molar Refractivity
65.9076
Polarizability
25.115234
Polar Surface Area
15.27
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