Molecule

ID:76314

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆Cl₃N
Molecular Mass
280.62114
Exact Mass
279.03483256
Charge
0
InChI
InChI=1S/C12H15Cl2N.ClH/c13-11-2-1-10(8-12(11)14)7-9-3-5-15-6-4-9;/h1-2,8-9,15H,3-7H2;1H
InChIKey
QMXPLRLXVBJVNB-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1Cl)CC1CCNCC1.Cl
Isomeric Smiles
N1CCC(Cc2ccc(c(c2)Cl)Cl)CC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.4994025
LogD (pH = 7.4)
0.95631236
Log P
3.7309687
Molar Refractivity
65.6896
Polarizability
25.852747
Polar Surface Area
12.03
Rotatable Bonds
2
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