Molecule

ID:58838

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂N₂O₃
Molecular Mass
292.28878
Exact Mass
292.08479225
Charge
0
InChI
InChI=1S/C17H12N2O3/c1-10-6-7-14-13(8-10)18-15(22-14)9-19-16(20)11-4-2-3-5-12(11)17(19)21/h2-8H,9H2,1H3
InChIKey
KVSJMGHNHOPSRD-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)nc(o2)CN1C(=O)c2c(C1=O)cccc2
Isomeric Smiles
c1(ccc2c(c1)nc(o2)CN1C(=O)c2c(C1=O)cccc2)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.5747786
LogD (pH = 7.4)
2.5747797
Log P
2.5747797
Molar Refractivity
79.8574
Polarizability
30.819448
Polar Surface Area
63.41
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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