Molecule

ID:2961

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c6-4-2-1-3-5-7/h4-5H,1-3H2
InChIKey
SXRSQZLOMIGNAQ-UHFFFAOYSA-N
Canonic Smiles
O=CCCCC=O
Isomeric Smiles
O=CCCCC=O
Calculated Properties
JChem
LogD (pH = 7.4)
-0.27
LogD (pH = 5.5)
-0.27
Log P
-0.27
Rotatable Bonds
4
H Donor
0
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
17.24
Polar Surface Area
34.14
Polarizability
10.33
Molar Refractivity
26.29
LOG S
0.84
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
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Bioactivity
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