Molecule

ID:112639

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂
Molecular Mass
138.21016
Exact Mass
138.11569846
Charge
0
InChI
InChI=1S/C8H14N2/c1-8(7-9)10-5-3-2-4-6-10/h8H,2-6H2,1H3
InChIKey
PRPJCKZJCBWSDT-UHFFFAOYSA-N
Canonic Smiles
CC(N1CCCCC1)C#N
Isomeric Smiles
CC(C#N)N1CCCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.41794977
LogD (pH = 7.4)
1.122115
Log P
1.145232
Molar Refractivity
41.6879
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
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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