Molecule

ID:21153

General Information
Structure
MolImage
Molecular Formula
C₁₃H₂₀ClNO
Molecular Mass
241.757
Exact Mass
241.12334195
Charge
0
InChI
InChI=1S/C13H19NO.ClH/c1-2-4-13(5-3-1)15-11-8-12-6-9-14-10-7-12;/h1-5,12,14H,6-11H2;1H
InChIKey
CJTIVLBJBFTOGM-UHFFFAOYSA-N
Canonic Smiles
N1CCC(CC1)CCOc1ccccc1.Cl
Isomeric Smiles
N1CCC(CCOc2ccccc2)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.9450373
LogD (pH = 7.4)
-0.48864734
Log P
2.2865484
Molar Refractivity
62.1736
Polarizability
24.717371
Polar Surface Area
21.26
Rotatable Bonds
4
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