Molecule

ID:87535

General Information
Structure
MolImage
Molecular Formula
C₁₃H₁₆N₂O
Molecular Mass
216.27894
Exact Mass
216.12626314
Charge
0
InChI
InChI=1S/C13H16N2O/c1-13(2,3)11-9-12(16)15(14-11)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKey
NOSULZKBEJXMKJ-UHFFFAOYSA-N
Canonic Smiles
CC(C1=NN(C(=O)C1)c1ccccc1)(C)C
Isomeric Smiles
N1=C(C(C)(C)C)CC(=O)N1c1ccccc1
Calculated Properties
JChem
Acid pKa
13.042646
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.326237
LogD (pH = 7.4)
3.326236
Log P
3.326237
Molar Refractivity
63.1949
Polarizability
24.40497
Polar Surface Area
32.67
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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