Molecule

ID:16226

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂O
Molecular Mass
204.26824
Exact Mass
204.12626314
Charge
0
InChI
InChI=1S/C12H16N2O/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChIKey
HNAGHMKIPMKKBB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCN(C1)Cc1ccccc1
Isomeric Smiles
C1C(CN(C1)Cc1ccccc1)C(=O)N
Calculated Properties
JChem
Acid pKa
16.542084
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.4816637
LogD (pH = 7.4)
-1.1636925
Log P
0.8921494
Molar Refractivity
60.0498
Polarizability
23.383377
Polar Surface Area
46.33
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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