Molecule

ID:73396

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O₃
Molecular Mass
254.2408
Exact Mass
254.06914219
Charge
0
InChI
InChI=1S/C14H10N2O3/c17-14(18)11-9-12(13-7-4-8-19-13)16(15-11)10-5-2-1-3-6-10/h1-9H,(H,17,18)
InChIKey
DYXLCKGZAKVTAF-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1nn(c(c1)c1ccco1)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)c(cc(n1)C(=O)O)c1ccco1
Calculated Properties
JChem
Acid pKa
3.1488545
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.4046816
LogD (pH = 7.4)
-0.72406065
Log P
2.7299707
Molar Refractivity
68.7085
Polarizability
27.55972
Polar Surface Area
68.26
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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