Molecule

ID:73676

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N
Molecular Mass
109.16894
Exact Mass
109.08914936
Charge
0
InChI
InChI=1S/C7H11N/c1-7(2)5-3-4-6-8/h1,3-5H2,2H3
InChIKey
NETAIQQWYLQFTM-UHFFFAOYSA-N
Canonic Smiles
N#CCCCC(=C)C
Isomeric Smiles
N#CCCCC(=C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8082182
LogD (pH = 7.4)
1.8082182
Log P
1.8082182
Molar Refractivity
34.379
Polarizability
13.235207
Polar Surface Area
23.79
Rotatable Bonds
3
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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