Molecule

ID:91023

General Information
Structure
Molecular Formula
C₁₅H₁₀N₂O₂
Molecular Mass
250.2521
Exact Mass
250.07422757
Charge
0
InChI
InChI=1S/C15H10N2O2/c18-13-9-12(17-10-5-2-1-3-6-10)15(19)11-7-4-8-16-14(11)13/h1-9,17H
InChIKey
GXIJYWUWLNHKNW-UHFFFAOYSA-N
Canonic Smiles
O=C1C=C(Nc2ccccc2)C(=O)c2c1nccc2
Isomeric Smiles
n1cccc2c1C(=O)C=C(C2=O)Nc1ccccc1
Calculated Properties
JChem
LogD (pH = 7.4)
1.58
LogD (pH = 5.5)
1.58
Log P
1.58
Rotatable Bonds
2
H Donor
1
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
11.25
Polar Surface Area
59.06
Polarizability
25.63
Molar Refractivity
73.61
LOG S
-3.77
Data Source
Names and Identifiers
Registration numbers
Properties
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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