Molecule

ID:73954

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈ClN
Molecular Mass
211.73102
Exact Mass
211.11277726
Charge
0
InChI
InChI=1S/C12H17N.ClH/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12;/h1,3-4,7-8,12-13H,2,5-6,9-10H2;1H
InChIKey
DVGLBMLXBJFWSX-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)Nc1ccccc1.Cl
Isomeric Smiles
N(c1ccccc1)C1CCCCC1.Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
3.104313
LogD (pH = 7.4)
3.2432005
Log P
3.2452946
Molar Refractivity
57.266
Polarizability
21.83485
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