Molecule

ID:123894

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-7(13)12-9-3-2-8-4-5-11-10(8)6-9/h2-6,11H,1H3,(H,12,13)
InChIKey
SDAJHYBATPUVBD-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc2c(c1)[nH]cc2
Isomeric Smiles
c12[nH]ccc2ccc(c1)NC(=O)C
Calculated Properties
JChem
Acid pKa
13.966524
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.3097181
LogD (pH = 7.4)
1.309718
Log P
1.3097181
Molar Refractivity
52.0075
Polarizability
20.42986
Polar Surface Area
44.89
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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