Molecule

ID:75294

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₅NO₂
Molecular Mass
193.2423
Exact Mass
193.11027873
Charge
0
InChI
InChI=1S/C11H15NO2/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
InChIKey
XEFYPTRGVWLMHB-UHFFFAOYSA-N
Canonic Smiles
CCN(c1ccccc1)C(=O)OCC
Isomeric Smiles
N(c1ccccc1)(C(=O)OCC)CC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4079292
LogD (pH = 7.4)
2.4079292
Log P
2.4079292
Molar Refractivity
55.1577
Polarizability
21.41928
Polar Surface Area
29.54
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
References
Bioactivity
Navigation