Molecule

ID:118538

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁N
Molecular Mass
85.14754
Exact Mass
85.08914936
Charge
0
InChI
InChI=1S/C5H11N/c1-2-3-4-5-6/h2H,1,3-6H2
InChIKey
UVBBCQLPTZEDHT-UHFFFAOYSA-N
Canonic Smiles
NCCCC=C
Isomeric Smiles
C(=C)CCCN
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.1847756
LogD (pH = 7.4)
-1.7594507
Log P
0.83902085
Molar Refractivity
28.4375
Polarizability
11.2655945
Polar Surface Area
26.02
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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