Molecule

ID:58842

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₂N₂O₃
Molecular Mass
292.28878
Exact Mass
292.08479225
Charge
0
InChI
InChI=1S/C17H12N2O3/c20-16-11-5-1-2-6-12(11)17(21)19(16)10-9-15-18-13-7-3-4-8-14(13)22-15/h1-8H,9-10H2
InChIKey
OGNSHTKXWDPCCK-UHFFFAOYSA-N
Canonic Smiles
O=C1N(CCc2nc3c(o2)cccc3)C(=O)c2c1cccc2
Isomeric Smiles
c1ccc2c(c1)nc(o2)CCN1C(=O)c2c(C1=O)cccc2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.2983701
LogD (pH = 7.4)
2.298371
Log P
2.298371
Molar Refractivity
79.5156
Polarizability
30.89918
Polar Surface Area
63.41
Rotatable Bonds
3
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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