Molecule

ID:46332

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆ClNO₃
Molecular Mass
267.79274
Exact Mass
267.16012138
Charge
0
InChI
InChI=1S/C12H25NO3.ClH/c1-14-7-8-16-10-9-15-6-4-12-3-2-5-13-11-12;/h12-13H,2-11H2,1H3;1H
InChIKey
FRFZGTDIZIRMIF-UHFFFAOYSA-N
Canonic Smiles
COCCOCCOCCC1CCCNC1.Cl
Isomeric Smiles
N1CC(CCOCCOCCOC)CCC1.Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-2.6547964
LogD (pH = 7.4)
-2.2787535
Log P
0.579526
Molar Refractivity
64.6749
Polarizability
25.709827
Polar Surface Area
39.72
Rotatable Bonds
9
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