Molecule

ID:13137

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅NO₄
Molecular Mass
297.3053
Exact Mass
297.10010797
Charge
0
InChI
InChI=1S/C17H15NO4/c19-15(20)10-17(22)13-8-4-5-9-14(13)18(16(17)21)11-12-6-2-1-3-7-12/h1-9,22H,10-11H2,(H,19,20)
InChIKey
LKEBDCHEEHJJIQ-UHFFFAOYSA-N
Canonic Smiles
OC(=O)CC1(O)c2ccccc2N(C1=O)Cc1ccccc1
Isomeric Smiles
c1ccc2c(c1)C(C(=O)N2Cc1ccccc1)(O)CC(=O)O
Calculated Properties
JChem
Acid pKa
4.0390186
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.26432645
LogD (pH = 7.4)
-1.3998927
Log P
1.7363849
Molar Refractivity
79.4003
Polarizability
30.732244
Polar Surface Area
77.84
Rotatable Bonds
4
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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