Molecule
ID:73653
General Information
Molecular Formula
C₁₄H₁₀N₂O₃
Molecular Mass
254.2408
Exact Mass
254.06914219
Charge
0
InChI
InChI=1S/C14H10N2O3/c17-10-3-1-2-8(6-10)13-15-11-5-4-9(14(18)19)7-12(11)16-13/h1-7,17H,(H,15,16)(H,18,19)
InChIKey
OZOFWYFYRJAFQH-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc(c1)c1nc2c([nH]1)cc(cc2)C(=O)O
Isomeric Smiles
n1c(c2cc(ccc2)O)[nH]c2cc(ccc12)C(=O)O
Calculated Properties
JChem
Acid pKa
3.2157054
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.99052995
LogD (pH = 7.4)
-0.49481556
Log P
1.3664471
Molar Refractivity
79.3072
Polarizability
27.842957
Polar Surface Area
86.21
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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