Molecule

ID:44207

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂O
Molecular Mass
202.25236
Exact Mass
202.11061308
Charge
0
InChI
InChI=1S/C12H14N2O/c1-8-4-3-5-10(6-8)7-11-9(2)13-14-12(11)15/h3-6,11H,7H2,1-2H3,(H,14,15)
InChIKey
QTCCPVGNTDVCCQ-UHFFFAOYSA-N
Canonic Smiles
O=C1NN=C(C1Cc1cccc(c1)C)C
Isomeric Smiles
C1(C(=O)NN=C1C)Cc1cc(ccc1)C
Calculated Properties
JChem
Acid pKa
11.765425
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.2797692
LogD (pH = 7.4)
2.2798288
Log P
2.2798464
Molar Refractivity
59.1299
Polarizability
22.504227
Polar Surface Area
41.46
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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