Molecule

ID:20697

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₇Cl₂NO
Molecular Mass
262.17548
Exact Mass
261.06871953
Charge
0
InChI
InChI=1S/C12H16ClNO.ClH/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10;/h3-6,10,14H,1-2,7-9H2;1H
InChIKey
VFIMEIXPXFBBLI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCC1CCCNC1.Cl
Isomeric Smiles
N1CC(COc2ccc(Cl)cc2)CCC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.65635234
LogD (pH = 7.4)
0.001234898
Log P
2.5655348
Molar Refractivity
62.2016
Polarizability
24.705406
Polar Surface Area
21.26
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