Molecule

ID:46343

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆ClNO
Molecular Mass
235.79394
Exact Mass
235.17029214
Charge
0
InChI
InChI=1S/C12H25NO.ClH/c1-11(2)5-9-14-10-6-12-3-7-13-8-4-12;/h11-13H,3-10H2,1-2H3;1H
InChIKey
ZSSIDDHUNYBKRT-UHFFFAOYSA-N
Canonic Smiles
CC(CCOCCC1CCNCC1)C.Cl
Isomeric Smiles
N1CCC(CCOCCC(C)C)CC1.Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.0251443
LogD (pH = 7.4)
-0.5687545
Log P
2.2064414
Molar Refractivity
61.0871
Polarizability
24.334522
Polar Surface Area
21.26
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