Molecule

ID:2715

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₂O₅
Molecular Mass
200.1374064
Exact Mass
200.04962986
Charge
0
InChI
InChI=1S/C6H10F2O5/c7-5-3(11)2(10)4(12)6(8,1-9)13-5/h2-5,9-12H,1H2/t2-,3-,4+,5-,6+/m0/s1
InChIKey
MGHYRMVVRYCAON-MDMQIMBFSA-N
Canonic Smiles
OC[C@@]1(F)O[C@H](F)[C@H]([C@@H]([C@H]1O)O)O
Isomeric Smiles
OC[C@@]1(F)O[C@H](F)[C@@H](O)[C@H](O)[C@H]1O
Calculated Properties
JChem
Acid pKa
11.612095
H Acceptors
5
H Donor
4
LogD (pH = 5.5)
-1.6015619
LogD (pH = 7.4)
-1.6015881
Log P
-1.6015615
Molar Refractivity
34.6289
Polarizability
14.312725
Polar Surface Area
90.15
Rotatable Bonds
1
Lipinski's Rule of Five
true
ALOGPS 2.1
Log P
-0.83
LOG S
0.11
Solubility (Water)
2.56e+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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