Molecule

ID:45975

General Information
Structure
MolImage
Molecular Formula
C₅H₁₁NO
Molecular Mass
101.14694
Exact Mass
101.08406398
Charge
0
InChI
InChI=1S/C5H11NO/c1-2-7-5-3-6-4-5/h5-6H,2-4H2,1H3
InChIKey
MIGAFYXADJBZDV-UHFFFAOYSA-N
Canonic Smiles
CCOC1CNC1
Isomeric Smiles
N1CC(C1)OCC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-2.950129
LogD (pH = 7.4)
-1.3778121
Log P
0.0051961015
Molar Refractivity
28.1867
Polarizability
11.428371
Polar Surface Area
21.26
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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