Molecule

ID:88418

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₆N₂O
Molecular Mass
192.25754
Exact Mass
192.12626314
Charge
0
InChI
InChI=1S/C11H16N2O/c1-9(2)13(12-10(3)14)11-7-5-4-6-8-11/h4-9H,1-3H3,(H,12,14)
InChIKey
OFQYWXJFFAVUNV-UHFFFAOYSA-N
Canonic Smiles
CC(N(c1ccccc1)NC(=O)C)C
Isomeric Smiles
N(N(c1ccccc1)C(C)C)C(=O)C
Calculated Properties
JChem
Acid pKa
13.870753
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.8921279
LogD (pH = 7.4)
1.8922126
Log P
1.892214
Molar Refractivity
67.1192
Polarizability
21.87896
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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