Molecule

ID:74688

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₀N₂O₃
Molecular Mass
230.2194
Exact Mass
230.06914219
Charge
0
InChI
InChI=1S/C12H10N2O3/c13-9-3-6-11(14-7-9)17-10-4-1-8(2-5-10)12(15)16/h1-7H,13H2,(H,15,16)
InChIKey
YRVUUSCJSWKUMK-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(nc1)Oc1ccc(cc1)C(=O)O
Isomeric Smiles
n1c(ccc(c1)N)Oc1ccc(cc1)C(=O)O
Calculated Properties
JChem
Acid pKa
4.2731977
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.4235079
LogD (pH = 7.4)
-1.3075285
Log P
1.5683305
Molar Refractivity
62.412
Polarizability
23.245346
Polar Surface Area
85.44
Rotatable Bonds
3
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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