Molecule

ID:46383

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₁Cl₂NO
Molecular Mass
290.22864
Exact Mass
289.10001966
Charge
0
InChI
InChI=1S/C14H20ClNO.ClH/c15-14-3-1-2-13(10-14)11-17-9-6-12-4-7-16-8-5-12;/h1-3,10,12,16H,4-9,11H2;1H
InChIKey
WOOFJYUYWLSHIN-UHFFFAOYSA-N
Canonic Smiles
Clc1cccc(c1)COCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCc2cc(Cl)ccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.30754465
LogD (pH = 7.4)
0.1488452
Log P
2.924041
Molar Refractivity
72.0823
Polarizability
28.405844
Polar Surface Area
21.26
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