Molecule

ID:33815

General Information
Structure
MolImage
Molecular Formula
C₈H₁₄N₂
Molecular Mass
138.21016
Exact Mass
138.11569846
Charge
0
InChI
InChI=1S/C8H14N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-4,6-7H2,1H3
InChIKey
ACOLJMMCKXMANR-UHFFFAOYSA-N
Canonic Smiles
N#CCN1CCCCC1C
Isomeric Smiles
N1(C(C)CCCC1)CC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.28081694
LogD (pH = 7.4)
0.970872
Log P
0.9930428
Molar Refractivity
41.6128
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
No Data Available
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Molecule Details
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References
Bioactivity
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