Molecule

ID:46196

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃Cl₂NO
Molecular Mass
352.29802
Exact Mass
351.11566972
Charge
0
InChI
InChI=1S/C19H22ClNO.ClH/c20-18-13-17(16-6-2-1-3-7-16)8-9-19(18)22-12-10-15-5-4-11-21-14-15;/h1-3,6-9,13,15,21H,4-5,10-12,14H2;1H
InChIKey
ZFENCMGYEWCIJO-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(ccc1OCCC1CCCNC1)c1ccccc1.Cl
Isomeric Smiles
c1(cc(c(cc1)OCCC1CNCCC1)Cl)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.38145
LogD (pH = 7.4)
1.7575002
Log P
4.6157722
Molar Refractivity
92.0376
Polarizability
37.571335
Polar Surface Area
21.26
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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