Molecule

ID:74461

General Information
Structure
MolImage
Molecular Formula
C₅H₈O₂
Molecular Mass
100.11582
Exact Mass
100.0524295
Charge
0
InChI
InChI=1S/C5H8O2/c6-5-3-1-2-4-7-5/h1-4H2
InChIKey
OZJPLYNZGCXSJM-UHFFFAOYSA-N
Canonic Smiles
O=C1CCCCO1
Isomeric Smiles
O1CCCCC1=O
Calculated Properties
JChem
LogD (pH = 7.4)
0.59
LogD (pH = 5.5)
0.59
Log P
0.59
Rotatable Bonds
0
H Donor
0
H Acceptors
1
Lipinski's Rule of Five
true
Acid pKa
-7.03
Polar Surface Area
26.30
Polarizability
10.14
Molar Refractivity
24.91
LOG S
-0.30
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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