Molecule
ID:73456
General Information
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-15(19)11-7-4-8-12-14(11)16-9-13(17-12)10-5-2-1-3-6-10/h1-9H,(H,18,19)
InChIKey
SOSPLSWNVQCOCL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1ncc(n2)c1ccccc1
Isomeric Smiles
n1c(cnc2c(cccc12)C(=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
2.8581893
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.37664956
LogD (pH = 7.4)
-0.5017228
Log P
2.989737
Molar Refractivity
69.4708
Polarizability
29.389942
Polar Surface Area
63.08
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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