Molecule

ID:58999

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂N₂O
Molecular Mass
188.22578
Exact Mass
188.09496301
Charge
0
InChI
InChI=1S/C11H12N2O/c1-7-8-5-3-4-6-9(8)13-10(7)11(14)12-2/h3-6,13H,1-2H3,(H,12,14)
InChIKey
KENVSRZGRSDLGB-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)c1[nH]c2c(c1C)cccc2
Isomeric Smiles
c1ccc2[nH]c(c(c2c1)C)C(=O)NC
Calculated Properties
JChem
Acid pKa
13.563362
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
1.5797466
LogD (pH = 7.4)
1.5797464
Log P
1.5797467
Molar Refractivity
56.0383
Polarizability
21.992504
Polar Surface Area
44.89
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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