Molecule

ID:132184

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-8-6-12(15)13-11-7-9(14(2)3)4-5-10(8)11/h4-7H,1-3H3,(H,13,15)
InChIKey
LHWKOWLGYNIFSM-UHFFFAOYSA-N
Canonic Smiles
CN(c1ccc2c(c1)[nH]c(=O)cc2C)C
Isomeric Smiles
Cc1cc(=O)[nH]c2c1ccc(c2)N(C)C
Calculated Properties
JChem
Acid pKa
13.732399
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9907193
LogD (pH = 7.4)
2.0044034
Log P
2.0045807
Molar Refractivity
63.9898
Polarizability
22.812946
Polar Surface Area
32.34
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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