Molecule

ID:90556

General Information
Structure
MolImage
Molecular Formula
C₁₂H₁₄N₂
Molecular Mass
186.25296
Exact Mass
186.11569846
Charge
0
InChI
InChI=1S/C12H14N2/c13-10-11-4-6-12(7-5-11)14-8-2-1-3-9-14/h4-7H,1-3,8-9H2
InChIKey
ZEPXHFFGXQFUDP-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(cc1)N1CCCCC1
Isomeric Smiles
N1(c2ccc(cc2)C#N)CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.7868233
LogD (pH = 7.4)
2.7877402
Log P
2.787752
Molar Refractivity
58.3502
Polarizability
21.788158
Polar Surface Area
27.03
Rotatable Bonds
1
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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