Molecule

ID:68971

General Information
Structure
MolImage
Molecular Formula
C₄H₈O₂
Molecular Mass
88.10512
Exact Mass
88.0524295
Charge
0
InChI
InChI=1S/C4H8O2/c5-4-1-2-6-3-4/h4-5H,1-3H2/t4-/m1/s1
InChIKey
XDPCNPCKDGQBAN-SCSAIBSYSA-N
Canonic Smiles
O[C@H]1COCC1
Isomeric Smiles
O1C[C@@H](CC1)O
Calculated Properties
JChem
Acid pKa
14.39322
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.6173507
LogD (pH = 7.4)
-0.61735076
Log P
-0.6173507
Molar Refractivity
21.8714
Polarizability
8.717666
Polar Surface Area
29.46
Rotatable Bonds
0
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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