Molecule

ID:123263

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c1-7(2)14-10-5-4-8(3)6-9(10)11(13)12(14)15/h4-7,11H,13H2,1-3H3
InChIKey
MJSWZUVASSPYKZ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1)C(N)C(=O)N2C(C)C
Isomeric Smiles
C1(=O)N(c2c(C1N)cc(cc2)C)C(C)C
Calculated Properties
JChem
Acid pKa
14.498337
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.59023994
LogD (pH = 7.4)
1.0316918
Log P
1.4008803
Molar Refractivity
59.9051
Polarizability
23.288176
Polar Surface Area
46.33
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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