Molecule

ID:63341

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c1-8(15)14-7-12(2,3)10-5-4-9(13)6-11(10)14/h4-6H,7,13H2,1-3H3
InChIKey
FDFKETITWKJRNI-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc2c(c1)N(CC2(C)C)C(=O)C
Isomeric Smiles
c12c(N(C(=O)C)CC1(C)C)cc(N)cc2
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.0179672
LogD (pH = 7.4)
1.0288184
Log P
1.0289584
Molar Refractivity
60.9166
Polarizability
22.979784
Polar Surface Area
46.33
Rotatable Bonds
0
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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