Molecule

ID:46758

General Information
Structure
MolImage
Molecular Formula
C₁₈H₂₁Cl₂NO
Molecular Mass
338.27144
Exact Mass
337.10001966
Charge
0
InChI
InChI=1S/C18H20ClNO.ClH/c19-17-6-7-18(21-13-15-8-9-20-12-15)16(11-17)10-14-4-2-1-3-5-14;/h1-7,11,15,20H,8-10,12-13H2;1H
InChIKey
NFZGEVLPTWGOGS-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cc1ccccc1)OCC1CNCC1.Cl
Isomeric Smiles
c1(c(OCC2CNCC2)ccc(c1)Cl)Cc1ccccc1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.97318715
LogD (pH = 7.4)
1.1317971
Log P
4.2127604
Molar Refractivity
87.3378
Polarizability
34.232475
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