Molecule

ID:66051

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-10-4-6-11(7-5-10)8-14-12(2,3)9-13/h4-7,14H,8H2,1-3H3
InChIKey
AXYHZCGPJVREMK-UHFFFAOYSA-N
Canonic Smiles
N#CC(NCc1ccc(cc1)C)(C)C
Isomeric Smiles
N#CC(NCc1ccc(cc1)C)(C)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.316076
LogD (pH = 7.4)
2.5778713
Log P
2.5824783
Molar Refractivity
58.6183
Polarizability
22.693245
Polar Surface Area
35.82
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
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Molecule Details
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References
Bioactivity
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