Molecule

ID:117148

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₆N₂
Molecular Mass
188.26884
Exact Mass
188.13134852
Charge
0
InChI
InChI=1S/C12H16N2/c1-14(10-6-5-9-13)11-12-7-3-2-4-8-12/h2-4,7-8H,9-11,13H2,1H3
InChIKey
OUCCNZVLAMGCDV-UHFFFAOYSA-N
Canonic Smiles
NCC#CCN(Cc1ccccc1)C
Isomeric Smiles
C(#CCN)CN(Cc1ccccc1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.6161053
LogD (pH = 7.4)
-0.47477102
Log P
1.5915028
Molar Refractivity
61.1139
Polarizability
23.388208
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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