Molecule

ID:53430

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-2-7-10(13)12-9-6-4-3-5-8(9)11-7/h3-6H,2H2,1H3,(H,12,13)
InChIKey
DZBGIZOIMSCJLV-UHFFFAOYSA-N
Canonic Smiles
CCc1nc2ccccc2[nH]c1=O
Isomeric Smiles
n1c(c(=O)[nH]c2c1cccc2)CC
Calculated Properties
JChem
Acid pKa
11.548447
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9294587
LogD (pH = 7.4)
1.9294614
Log P
1.9294912
Molar Refractivity
53.5815
Polarizability
18.865881
Polar Surface Area
41.46
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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