Molecule

ID:135423

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O
Molecular Mass
86.1323
Exact Mass
86.07316494
Charge
0
InChI
InChI=1S/C5H10O/c1-2-3-4-5-6/h3-4,6H,2,5H2,1H3/b4-3-
InChIKey
BTSIZIIPFNVMHF-ARJAWSKDSA-N
Canonic Smiles
CC/C=C\CO
Isomeric Smiles
C(=C\CO)\CC
Calculated Properties
JChem
LogD (pH = 7.4)
1.04
LogD (pH = 5.5)
1.04
Log P
1.04
Rotatable Bonds
2
H Donor
1
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
16.08
Polar Surface Area
20.23
Polarizability
10.25
Molar Refractivity
27.70
LOG S
-0.87
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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