Molecule

ID:47767

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-3-9-14(10-4-2)12-7-5-11(13)6-8-12/h3-8H,1-2,9-10,13H2
InChIKey
GZIKTSWYASVUSR-UHFFFAOYSA-N
Canonic Smiles
C=CCN(c1ccc(cc1)N)CC=C
Isomeric Smiles
c1(N(CC=C)CC=C)ccc(N)cc1
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.107283
LogD (pH = 7.4)
2.6982405
Log P
2.7148633
Molar Refractivity
63.5124
Polarizability
23.223074
Polar Surface Area
29.26
Rotatable Bonds
5
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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