Molecule

ID:15474

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c13-8-12-6-7-14(10-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChIKey
RYCQUUNQHVAFSM-UHFFFAOYSA-N
Canonic Smiles
N#CC1CCN(C1)Cc1ccccc1
Isomeric Smiles
C1C(CN(C1)Cc1ccccc1)C#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.13593909
LogD (pH = 7.4)
1.5751523
Log P
1.7570409
Molar Refractivity
57.2069
Polarizability
22.03418
Polar Surface Area
27.03
Rotatable Bonds
2
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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