Molecule

ID:40608

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆Cl₃N
Molecular Mass
268.61044
Exact Mass
267.03483256
Charge
0
InChI
InChI=1S/C11H15Cl2N.ClH/c12-6-8-14(9-7-13)10-11-4-2-1-3-5-11;/h1-5H,6-10H2;1H
InChIKey
AZRWNJFEUSHORT-UHFFFAOYSA-N
Canonic Smiles
ClCCN(Cc1ccccc1)CCCl.Cl
Isomeric Smiles
N(Cc1ccccc1)(CCCl)CCCl.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6006405
LogD (pH = 7.4)
3.225426
Log P
3.2436223
Molar Refractivity
63.2873
Polarizability
24.690405
Polar Surface Area
3.24
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