Molecule

ID:72178

General Information
Structure
Molecular Formula
C₈H₁₄N₂
Molecular Mass
138.21016
Exact Mass
138.11569846
Charge
0
InChI
InChI=1S/C8H14N2/c1-10(2)8(7-9)5-3-4-6-8/h3-6H2,1-2H3
InChIKey
HZWBDLLSZAIPBC-UHFFFAOYSA-N
Canonic Smiles
CN(C1(CCCC1)C#N)C
Isomeric Smiles
N#CC1(N(C)C)CCCC1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.4250765
LogD (pH = 7.4)
1.2739456
Log P
1.3089507
Molar Refractivity
41.505
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
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Molecule Details
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References
Bioactivity
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