Molecule

ID:46253

General Information
Structure
MolImage
Molecular Formula
C₁₉H₂₃Cl₂NO
Molecular Mass
352.29802
Exact Mass
351.11566972
Charge
0
InChI
InChI=1S/C19H22ClNO.ClH/c20-16-9-10-19(18(14-16)15-6-2-1-3-7-15)22-13-11-17-8-4-5-12-21-17;/h1-3,6-7,9-10,14,17,21H,4-5,8,11-13H2;1H
InChIKey
LJGJRBXZWPGQCO-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)c1ccccc1)OCCC1CCCCN1.Cl
Isomeric Smiles
c1(c(ccc(c1)Cl)OCCC1NCCCC1)c1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4469994
LogD (pH = 7.4)
2.039902
Log P
4.672534
Molar Refractivity
91.8642
Polarizability
37.549065
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