Molecule

ID:72029

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N
Molecular Mass
85.14754
Exact Mass
85.08914936
Charge
0
InChI
InChI=1S/C5H11N/c1-6-5-3-2-4-5/h5-6H,2-4H2,1H3
InChIKey
JSIGUUUNVYUWQT-UHFFFAOYSA-N
Canonic Smiles
CNC1CCC1
Isomeric Smiles
C1(CCC1)NC
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.5155385
LogD (pH = 7.4)
-2.092714
Log P
0.71725476
Molar Refractivity
26.5056
Polarizability
10.75224
Polar Surface Area
12.03
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
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Molecule Details
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References
Bioactivity
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