Molecule

ID:14153

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁NO₃
Molecular Mass
253.25274
Exact Mass
253.07389322
Charge
0
InChI
InChI=1S/C15H11NO3/c17-14(18)9-16-12-7-3-1-5-10(12)15(19)11-6-2-4-8-13(11)16/h1-8H,9H2,(H,17,18)
InChIKey
UOMKBIIXHQIERR-UHFFFAOYSA-N
Canonic Smiles
OC(=O)Cn1c2ccccc2c(=O)c2c1cccc2
Isomeric Smiles
n1(c2c(c(=O)c3c1cccc3)cccc2)CC(=O)O
Calculated Properties
JChem
Acid pKa
3.6768582
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.77977407
LogD (pH = 7.4)
-0.7137116
Log P
2.600938
Molar Refractivity
70.043
Polarizability
26.578007
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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