Molecule

ID:64580

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c18-15(19)13-8-12-11(16-13)6-7-14(17-12)20-9-10-4-2-1-3-5-10/h1-8,16H,9H2,(H,18,19)
InChIKey
IZRJKXQTXUVODX-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cc2c([nH]1)ccc(n2)OCc1ccccc1
Isomeric Smiles
c1([nH]c2c(c1)nc(OCc1ccccc1)cc2)C(=O)O
Calculated Properties
JChem
Acid pKa
3.6101859
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
1.0882466
LogD (pH = 7.4)
-0.36224854
Log P
2.8634863
Molar Refractivity
73.1386
Polarizability
29.092098
Polar Surface Area
75.21
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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