Molecule

ID:30795

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-7-4-3-5-12-9(6-13)8(2)11-10(7)12/h3-6H,1-2H3
InChIKey
NAJSJTOWNZKNLS-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nc2n1cccc2C
Isomeric Smiles
c12n(c(c(n1)C)C=O)cccc2C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8818466
LogD (pH = 7.4)
1.0344762
Log P
1.0368445
Molar Refractivity
52.0306
Polarizability
18.715958
Polar Surface Area
34.37
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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