Molecule

ID:59478

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-4-14-11-6-9(3)8(2)5-10(11)13-12(14)7-15/h5-7H,4H2,1-3H3
InChIKey
HGMYIQIVNITZRC-UHFFFAOYSA-N
Canonic Smiles
CCn1c(C=O)nc2c1cc(C)c(c2)C
Isomeric Smiles
n1c(n(c2c1cc(c(c2)C)C)CC)C=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.238174
LogD (pH = 7.4)
3.245477
Log P
3.245571
Molar Refractivity
60.7442
Polarizability
23.695879
Polar Surface Area
34.89
Rotatable Bonds
2
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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