Molecule

ID:127848

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₁NO₃
Molecular Mass
215.28934
Exact Mass
215.15214354
Charge
0
InChI
InChI=1S/C11H21NO3/c1-4-6-8-12(10(3)13)9-7-11(14)15-5-2/h4-9H2,1-3H3
InChIKey
VZRKEAFHFMSHCD-UHFFFAOYSA-N
Canonic Smiles
CCCCN(C(=O)C)CCC(=O)OCC
Isomeric Smiles
CCCCN(CCC(=O)OCC)C(=O)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.9586602
LogD (pH = 7.4)
0.95866084
Log P
0.9586609
Molar Refractivity
58.4346
Polarizability
22.982286
Polar Surface Area
46.61
Rotatable Bonds
8
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
References
Bioactivity
Navigation