Molecule

ID:12904

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c19-15(12-4-2-1-3-5-12)10-11-16(20)18-14-8-6-13(7-9-14)17(21)22/h1-9H,10-11H2,(H,18,20)(H,21,22)
InChIKey
QDZIGIDRPFIIAJ-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1ccc(cc1)C(=O)O)CCC(=O)c1ccccc1
Isomeric Smiles
c1cccc(c1)C(=O)CCC(=O)Nc1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.160489
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.091493
LogD (pH = 7.4)
-0.61230654
Log P
2.447641
Molar Refractivity
82.8876
Polarizability
30.872957
Polar Surface Area
83.47
Rotatable Bonds
6
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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