Molecule

ID:40840

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c17-14-11-6-2-1-5-10(11)9-16(14)13-8-4-3-7-12(13)15(18)19/h1-8H,9H2,(H,18,19)
InChIKey
ABKBCHBYNDGPLH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccccc1N1Cc2c(C1=O)cccc2
Isomeric Smiles
N1(C(=O)c2c(C1)cccc2)c1c(C(=O)O)cccc1
Calculated Properties
JChem
Acid pKa
3.505582
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.3516993
LogD (pH = 7.4)
-1.035704
Log P
2.338007
Molar Refractivity
70.5182
Polarizability
26.37259
Polar Surface Area
57.61
Rotatable Bonds
2
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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