Molecule

ID:60929

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-9-11(12(15)14-13-9)8-7-10-5-3-2-4-6-10/h2-6,11H,7-8H2,1H3,(H,14,15)
InChIKey
FCHOQJFDWATKLO-UHFFFAOYSA-N
Canonic Smiles
O=C1NN=C(C1CCc1ccccc1)C
Isomeric Smiles
N1=C(C(C(=O)N1)CCc1ccccc1)C
Calculated Properties
JChem
Acid pKa
11.768221
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.21092
LogD (pH = 7.4)
2.2109764
Log P
2.2109938
Molar Refractivity
58.6897
Polarizability
22.582176
Polar Surface Area
41.46
Rotatable Bonds
3
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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