Molecule

ID:73654

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₃
Molecular Mass
254.2408
Exact Mass
254.06914219
Charge
0
InChI
InChI=1S/C14H10N2O3/c17-12-4-2-1-3-9(12)13-15-10-6-5-8(14(18)19)7-11(10)16-13/h1-7,17H,(H,15,16)(H,18,19)
InChIKey
AJQMSSZACZXILU-UHFFFAOYSA-N
Canonic Smiles
Oc1ccccc1c1nc2c([nH]1)cc(cc2)C(=O)O
Isomeric Smiles
n1c(c2c(cccc2)O)[nH]c2cc(ccc12)C(=O)O
Calculated Properties
JChem
Acid pKa
3.202208
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
0.9920651
LogD (pH = 7.4)
-0.53866297
Log P
1.4928905
Molar Refractivity
79.3072
Polarizability
27.847015
Polar Surface Area
86.21
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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