Molecule

ID:14505

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅NO₄
Molecular Mass
273.2839
Exact Mass
273.10010797
Charge
0
InChI
InChI=1S/C15H15NO4/c1-10-2-7-13(20-10)8-9-14(17)16-12-5-3-11(4-6-12)15(18)19/h2-7H,8-9H2,1H3,(H,16,17)(H,18,19)
InChIKey
XMRWODJLWBNXBU-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)C(=O)O)CCc1ccc(o1)C
Isomeric Smiles
c1(NC(=O)CCc2oc(cc2)C)ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.160493
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.89520407
LogD (pH = 7.4)
-0.80859655
Log P
2.251348
Molar Refractivity
75.1947
Polarizability
27.631704
Polar Surface Area
79.54
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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