Molecule

ID:20496

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₂Cl₂N₂O
Molecular Mass
281.22188
Exact Mass
280.11091869
Charge
0
InChI
InChI=1S/C12H20N2O.2ClH/c1-10-9-11(5-6-12(10)13)15-8-4-7-14(2)3;;/h5-6,9H,4,7-8,13H2,1-3H3;2*1H
InChIKey
MOSRORZMVQDTHX-UHFFFAOYSA-N
Canonic Smiles
CN(CCCOc1ccc(c(c1)C)N)C.Cl.Cl
Isomeric Smiles
c1(c(ccc(c1)OCCCN(C)C)N)C.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-1.827325
LogD (pH = 7.4)
-0.27565697
Log P
1.5786742
Molar Refractivity
65.1473
Polarizability
24.65352
Polar Surface Area
38.49
Rotatable Bonds
5
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