Molecule

ID:73486

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀N₂O
Molecular Mass
222.242
Exact Mass
222.07931295
Charge
0
InChI
InChI=1S/C14H10N2O/c17-9-12-11-5-1-2-6-13(11)16-14(12)10-4-3-7-15-8-10/h1-9,16H
InChIKey
SQVYVEPAYPBNHI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c([nH]c2c1cccc2)c1cccnc1
Isomeric Smiles
[nH]1c(c(c2c1cccc2)C=O)c1cnccc1
Calculated Properties
JChem
Acid pKa
12.282539
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.0999835
LogD (pH = 7.4)
2.1336088
Log P
2.1340642
Molar Refractivity
66.5853
Polarizability
27.602356
Polar Surface Area
45.75
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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