Molecule

ID:53341

General Information
Structure
Molecular Formula
C₁₅H₁₂N₂O₃
Molecular Mass
268.26738
Exact Mass
268.08479225
Charge
0
InChI
InChI=1S/C15H12N2O3/c1-10-7-8-12-13(16-10)17(15(19)20-14(12)18)9-11-5-3-2-4-6-11/h2-8H,9H2,1H3
InChIKey
AEDRACQGOSWAFL-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)n(Cc1ccccc1)c(=O)oc2=O
Isomeric Smiles
c1c(nc2c(c1)c(=O)oc(=O)n2Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
2.572776
LogD (pH = 7.4)
2.5728023
Log P
2.5728025
Molar Refractivity
72.3029
Polarizability
27.534569
Polar Surface Area
59.5
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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