Molecule

ID:88417

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₈N₂O
Molecular Mass
206.28412
Exact Mass
206.14191321
Charge
0
InChI
InChI=1S/C12H18N2O/c1-10(15)13-14(12(2,3)4)11-8-6-5-7-9-11/h5-9H,1-4H3,(H,13,15)
InChIKey
HDUCLRWIXMYNKV-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NN(C(C)(C)C)c1ccccc1
Isomeric Smiles
N(N(c1ccccc1)C(C)(C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
13.869767
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.1726913
LogD (pH = 7.4)
2.172789
Log P
2.1727905
Molar Refractivity
71.7574
Polarizability
23.722313
Polar Surface Area
32.34
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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