Molecule

ID:53594

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁N
Molecular Mass
109.16894
Exact Mass
109.08914936
Charge
0
InChI
InChI=1S/C7H11N/c8-6-5-7-3-1-2-4-7/h7H,1-5H2
InChIKey
BKMDIBDWHXWKSV-UHFFFAOYSA-N
Canonic Smiles
N#CCC1CCCC1
Isomeric Smiles
N#CCC1CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.6921382
LogD (pH = 7.4)
1.6921382
Log P
1.6921382
Molar Refractivity
32.7993
Polarizability
12.736512
Polar Surface Area
23.79
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
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Molecule Details
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References
Bioactivity
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