Molecule

ID:61545

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-12(2,13)7-9-8-14-11-6-4-3-5-10(9)11/h3-6,8,14H,7,13H2,1-2H3
InChIKey
WREHPEFXXFJIIJ-UHFFFAOYSA-N
Canonic Smiles
CC(Cc1c[nH]c2c1cccc2)(N)C
Isomeric Smiles
c1(c[nH]c2c1cccc2)CC(N)(C)C
Calculated Properties
JChem
Acid pKa
17.10544
H Acceptors
1
H Donor
2
LogD (pH = 5.5)
-0.84015954
LogD (pH = 7.4)
-0.41346493
Log P
2.1835892
Molar Refractivity
59.4299
Polarizability
24.465292
Polar Surface Area
41.81
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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