Molecule

ID:8673

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄N₂
Molecular Mass
126.19946
Exact Mass
126.11569846
Charge
0
InChI
InChI=1S/C7H14N2/c1-2-3-6-9-7-4-5-8/h9H,2-4,6-7H2,1H3
InChIKey
FPGVMJDQNJEAJM-UHFFFAOYSA-N
Canonic Smiles
CCCCNCCC#N
Isomeric Smiles
CCCCNCCC#N
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.684451
LogD (pH = 7.4)
0.044795617
Log P
0.9039655
Molar Refractivity
38.3303
Polarizability
14.99472
Polar Surface Area
35.82
Rotatable Bonds
5
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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