Molecule

ID:70371

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀O₃
Molecular Mass
118.1311
Exact Mass
118.06299418
Charge
0
InChI
InChI=1S/C5H10O3/c1-4(6)3-5(7)8-2/h4,6H,3H2,1-2H3/t4-/m1/s1
InChIKey
LDLDJEAVRNAEBW-SCSAIBSYSA-N
Canonic Smiles
COC(=O)C[C@H](O)C
Isomeric Smiles
C(=O)(C[C@@H](C)O)OC
Calculated Properties
JChem
Acid pKa
15.407248
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.24111195
LogD (pH = 7.4)
-0.24111195
Log P
-0.24111195
Molar Refractivity
28.2332
Polarizability
11.390625
Polar Surface Area
46.53
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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