Molecule

ID:68229

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-8-7-10(13)12(11-8)9-5-3-2-4-6-9/h2-7,11H,1H3
InChIKey
KZQYIMCESJLPQH-UHFFFAOYSA-N
Canonic Smiles
Cc1[nH]n(c(=O)c1)c1ccccc1
Isomeric Smiles
[nH]1n(c(=O)cc1C)c1ccccc1
Calculated Properties
JChem
Acid pKa
8.266748
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.2761797
LogD (pH = 7.4)
1.2250394
Log P
1.2768778
Molar Refractivity
62.135
Polarizability
19.050451
Polar Surface Area
32.34
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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