Molecule

ID:116433

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c1-11-10(13)9-6-7-4-2-3-5-8(7)12-9/h2-5,9,12H,6H2,1H3,(H,11,13)
InChIKey
BAUHDHWVXAOSEF-UHFFFAOYSA-N
Canonic Smiles
CNC(=O)C1Cc2c(N1)cccc2
Isomeric Smiles
N1C(C(=O)NC)Cc2c1cccc2
Calculated Properties
JChem
Acid pKa
15.177868
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
0.5925411
LogD (pH = 7.4)
0.5925849
Log P
0.5925855
Molar Refractivity
52.1102
Polarizability
19.309677
Polar Surface Area
41.13
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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