Molecule

ID:18033

General Information
Structure
MolImage
Molecular Formula
C₇H₁₅N
Molecular Mass
113.2007
Exact Mass
113.12044949
Charge
0
InChI
InChI=1S/C7H15N/c8-6-5-7-3-1-2-4-7/h7H,1-6,8H2
InChIKey
UKPLRVAKKXWITN-UHFFFAOYSA-N
Canonic Smiles
NCCC1CCCC1
Isomeric Smiles
NCCC1CCCC1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-1.6129458
LogD (pH = 7.4)
-1.1881957
Log P
1.4108707
Molar Refractivity
35.7408
Polarizability
14.445701
Polar Surface Area
26.02
Rotatable Bonds
2
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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