Molecule

ID:13291

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₅NO₄
Molecular Mass
285.2946
Exact Mass
285.10010797
Charge
0
InChI
InChI=1S/C16H15NO4/c18-15(17-10-16(19)20)11-21-14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-9H,10-11H2,(H,17,18)(H,19,20)
InChIKey
WKUOHGZFHMLFFC-UHFFFAOYSA-N
Canonic Smiles
O=C(COc1ccc(cc1)c1ccccc1)NCC(=O)O
Isomeric Smiles
c1cccc(c1)c1ccc(cc1)OCC(=O)NCC(=O)O
Calculated Properties
JChem
Acid pKa
3.6243303
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.03638135
LogD (pH = 7.4)
-1.4988935
Log P
1.8355
Molar Refractivity
76.5455
Polarizability
31.02627
Polar Surface Area
75.63
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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