Molecule

ID:9940

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O
Molecular Mass
86.1323
Exact Mass
86.07316494
Charge
0
InChI
InChI=1S/C5H10O/c1-3-5-6-4-2/h3H,1,4-5H2,2H3
InChIKey
OJPSFJLSZZTSDF-UHFFFAOYSA-N
Canonic Smiles
CCOCC=C
Isomeric Smiles
C=CCOCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.2126073
LogD (pH = 7.4)
1.2126073
Log P
1.2126073
Molar Refractivity
26.9238
Polarizability
10.393685
Polar Surface Area
9.23
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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