Molecule

ID:129638

General Information
Structure
MolImage
Molecular Formula
C₄H₆O₂
Molecular Mass
86.08924
Exact Mass
86.03677943
Charge
0
InChI
InChI=1S/C4H6O2/c5-3-1-2-4-6/h3-4H,1-2H2
InChIKey
PCSMJKASWLYICJ-UHFFFAOYSA-N
Canonic Smiles
O=CCCC=O
Isomeric Smiles
O=CCCC=O
Calculated Properties
JChem
Acid pKa
12.321156
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-0.7157155
LogD (pH = 7.4)
-0.71572065
Log P
-0.71571547
Molar Refractivity
21.6862
Polarizability
8.28327
Polar Surface Area
34.14
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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