Molecule

ID:121161

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀N₂O₃
Molecular Mass
266.2515
Exact Mass
266.06914219
Charge
0
InChI
InChI=1S/C15H10N2O3/c18-14-11-6-2-1-5-10(11)12(15(19)20)9-17(14)13-7-3-4-8-16-13/h1-9H,(H,19,20)
InChIKey
RTCWFJGFEMREAC-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cn(c2ccccn2)c(=O)c2c1cccc2
Isomeric Smiles
n1(c(=O)c2c(c(c1)C(=O)O)cccc2)c1ncccc1
Calculated Properties
JChem
Acid pKa
2.973332
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.6104956
LogD (pH = 7.4)
-1.4240059
Log P
1.5726622
Molar Refractivity
72.2659
Polarizability
27.18113
Polar Surface Area
70.5
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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