Molecule

ID:24090

General Information
Structure
MolImage
Molecular Formula
C₁₄H₂₃Cl₃N₂O
Molecular Mass
341.70422
Exact Mass
340.08759641
Charge
0
InChI
InChI=1S/C14H21ClN2O.2ClH/c15-13-3-5-14(6-4-13)18-12-2-1-9-17-10-7-16-8-11-17;;/h3-6,16H,1-2,7-12H2;2*1H
InChIKey
FMMDXUNVZMPZOP-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)OCCCCN1CCNCC1.Cl.Cl
Isomeric Smiles
c1(ccc(cc1)Cl)OCCCCN1CCNCC1.Cl.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.91020364
LogD (pH = 7.4)
0.44302455
Log P
2.479658
Molar Refractivity
75.6105
Polarizability
29.915974
Polar Surface Area
24.5
Rotatable Bonds
6
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