Molecule

ID:33811

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂
Molecular Mass
138.21016
Exact Mass
138.11569846
Charge
0
InChI
InChI=1S/C8H14N2/c1-8-2-5-10(6-3-8)7-4-9/h8H,2-3,5-7H2,1H3
InChIKey
JPCZNTKWDQCTTC-UHFFFAOYSA-N
Canonic Smiles
CC1CCN(CC1)CC#N
Isomeric Smiles
N#CCN1CCC(CC1)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.32165298
LogD (pH = 7.4)
0.850114
Log P
0.8634869
Molar Refractivity
41.7426
Polarizability
16.10553
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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