Molecule

ID:109262

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₂
Molecular Mass
102.1317
Exact Mass
102.06807956
Charge
0
InChI
InChI=1S/C5H10O2/c1-5(7)3-2-4-6/h6H,2-4H2,1H3
InChIKey
JSHPTIGHEWEXRW-UHFFFAOYSA-N
Canonic Smiles
OCCCC(=O)C
Isomeric Smiles
CC(=O)CCCO
Calculated Properties
JChem
Acid pKa
15.955751
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.1852943
LogD (pH = 7.4)
-0.1852943
Log P
-0.1852943
Molar Refractivity
27.3514
Polarizability
10.648865
Polar Surface Area
37.3
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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