Molecule

ID:67616

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-7-10(8(2)13)12-6-4-3-5-9(12)11-7/h3-6H,1-2H3
InChIKey
RMDMJJKMOQLKPC-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1c(C)nc2n1cccc2
Isomeric Smiles
c12ccccn1c(c(n2)C)C(=O)C
Calculated Properties
JChem
Acid pKa
16.734875
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.28478208
LogD (pH = 7.4)
0.36739907
Log P
0.36856824
Molar Refractivity
50.8082
Polarizability
18.792536
Polar Surface Area
34.37
Rotatable Bonds
1
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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