Molecule
ID:122938
General Information
Molecular Formula
C₁₅H₁₀N₂O₃
Molecular Mass
266.2515
Exact Mass
266.06914219
Charge
0
InChI
InChI=1S/C15H10N2O3/c18-14-13-4-2-1-3-11(13)9-16-17(14)12-7-5-10(6-8-12)15(19)20/h1-9H,(H,19,20)
InChIKey
OQMJTTODFHRUPH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(cc1)n1ncc2c(c1=O)cccc2
Isomeric Smiles
n1(c(=O)c2c(cn1)cccc2)c1ccc(C(=O)O)cc1
Calculated Properties
JChem
Acid pKa
3.9855225
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.0057201
LogD (pH = 7.4)
-0.6382086
Log P
2.5291064
Molar Refractivity
74.108
Polarizability
27.092829
Polar Surface Area
69.97
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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