Molecule

ID:2063

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₂O₄
Molecular Mass
184.1380064
Exact Mass
184.05471524
Charge
0
InChI
InChI=1S/C6H10F2O4/c7-3-5(11)4(10)2(1-9)12-6(3)8/h2-6,9-11H,1H2/t2-,3-,4-,5-,6-/m1/s1
InChIKey
YZRDPODBASCWCK-QZABAPFNSA-N
Canonic Smiles
OC[C@H]1O[C@@H](F)[C@@H]([C@H]([C@@H]1O)O)F
Isomeric Smiles
OC[C@H]1O[C@@H](F)[C@H](F)[C@@H](O)[C@@H]1O
Calculated Properties
JChem
Acid pKa
12.518427
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.2811166
LogD (pH = 7.4)
-1.28112
Log P
-1.2811166
Molar Refractivity
32.8504
Polarizability
13.5586195
Polar Surface Area
69.92
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.97
LOG S
-0.16
Solubility (Water)
1.29e+02 g/l
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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