Molecule

ID:46327

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₄ClNO₂
Molecular Mass
237.76676
Exact Mass
237.14955669
Charge
0
InChI
InChI=1S/C11H23NO2.ClH/c1-2-13-9-10-14-8-5-11-3-6-12-7-4-11;/h11-12H,2-10H2,1H3;1H
InChIKey
KSYPWDRLOXUKNY-UHFFFAOYSA-N
Canonic Smiles
CCOCCOCCC1CCNCC1.Cl
Isomeric Smiles
N1CCC(CCOCCOCC)CC1.Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.32623
LogD (pH = 7.4)
-1.8698401
Log P
0.90535575
Molar Refractivity
58.457
Polarizability
23.170424
Polar Surface Area
30.49
Rotatable Bonds
7
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