Molecule

ID:61398

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O
Molecular Mass
176.21508
Exact Mass
176.09496301
Charge
0
InChI
InChI=1S/C10H12N2O/c1-7-6-10(13)12-9-5-3-2-4-8(9)11-7/h2-5,7,11H,6H2,1H3,(H,12,13)
InChIKey
BBPWQLMHOSRDMA-UHFFFAOYSA-N
Canonic Smiles
CC1CC(=O)Nc2c(N1)cccc2
Isomeric Smiles
N1C(=O)CC(Nc2c1cccc2)C
Calculated Properties
JChem
Acid pKa
13.860865
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.0224152
LogD (pH = 7.4)
1.0384427
Log P
1.0386511
Molar Refractivity
53.6739
Polarizability
19.300085
Polar Surface Area
41.13
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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