Molecule

ID:58681

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O
Molecular Mass
174.1992
Exact Mass
174.07931295
Charge
0
InChI
InChI=1S/C10H10N2O/c1-2-9-11-8-6-4-3-5-7(8)10(13)12-9/h3-6H,2H2,1H3,(H,11,12,13)
InChIKey
LUANCFNZZLKBOQ-UHFFFAOYSA-N
Canonic Smiles
CCc1nc2ccccc2c(=O)[nH]1
Isomeric Smiles
c1ccc2c(c1)c(=O)[nH]c(n2)CC
Calculated Properties
JChem
Acid pKa
9.923047
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4628166
LogD (pH = 7.4)
1.4733994
Log P
1.4739764
Molar Refractivity
52.0168
Polarizability
18.661173
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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