Molecule

ID:33797

General Information
Structure
Molecular Formula
C₁₅H₁₀N₂O₃
Molecular Mass
266.2515
Exact Mass
266.06914219
Charge
0
InChI
InChI=1S/C15H10N2O3/c18-14-12(10-4-2-1-3-5-10)8-16-13-7-6-11(15(19)20)9-17(13)14/h1-9H,(H,19,20)
InChIKey
UZFOCCNBXIVYON-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc2n(c1)c(=O)c(cn2)c1ccccc1
Isomeric Smiles
n12c(=O)c(cnc2ccc(c1)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
3.405713
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.44099995
LogD (pH = 7.4)
-1.7602826
Log P
1.6412079
Molar Refractivity
73.3804
Polarizability
27.243565
Polar Surface Area
69.97
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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