Molecule

ID:112567

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₃
Molecular Mass
269.2952
Exact Mass
269.10519335
Charge
0
InChI
InChI=1S/C16H15NO3/c1-20-15-10-6-5-9-13(15)17-16(19)11-14(18)12-7-3-2-4-8-12/h2-10H,11H2,1H3,(H,17,19)
InChIKey
FTYSHTGKLFLKRX-UHFFFAOYSA-N
Canonic Smiles
COc1ccccc1NC(=O)CC(=O)c1ccccc1
Isomeric Smiles
COc1ccccc1NC(=O)CC(=O)c1ccccc1
Calculated Properties
JChem
Acid pKa
11.300805
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.6958132
LogD (pH = 7.4)
2.4633636
Log P
2.6997523
Molar Refractivity
77.5454
Polarizability
29.212507
Polar Surface Area
55.4
Rotatable Bonds
5
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