Molecule

ID:35280

General Information
Structure
Molecular Formula
C₁₄H₁₀N₂O
Molecular Mass
222.242
Exact Mass
222.07931295
Charge
0
InChI
InChI=1S/C14H10N2O/c17-10-12-14(11-6-2-1-3-7-11)15-13-8-4-5-9-16(12)13/h1-10H
InChIKey
GDQWGRMPXASNTI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(nc2n1cccc2)c1ccccc1
Isomeric Smiles
n1c(c(n2c1cccc2)C=O)c1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4078395
LogD (pH = 7.4)
2.4249063
Log P
2.4251287
Molar Refractivity
67.1621
Polarizability
26.185635
Polar Surface Area
34.37
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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