Molecule

ID:136986

General Information
Structure
MolImage
Molecular Formula
C₆H₄F₄O₃
Molecular Mass
200.0877728
Exact Mass
200.00965687
Charge
0
InChI
InChI=1S/C6H2F4O2.H2O/c7-1-2(8)5(11)4(10)6(12)3(1)9;/h11-12H;1H2
InChIKey
JQBCACBTHCKSNI-UHFFFAOYSA-N
Canonic Smiles
Oc1c(F)c(O)c(c(c1F)F)F.O
Isomeric Smiles
c1(c(c(c(c(c1F)F)F)O)F)O.O
Calculated Properties
JChem
Acid pKa
6.391322
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
1.8846828
LogD (pH = 7.4)
0.75663453
Log P
1.9369229
Molar Refractivity
30.8854
Polarizability
11.091361
Polar Surface Area
40.46
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
Molecule Details
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References
Bioactivity
Navigation
CAS 207738-03-2|tetrafluorobenzene-1,3-diol hydrate|Tetrafluororesorcinol hydrate|四氟间苯二酚 水合物|tetrafluorobenzene-1,3-diol hydrate | Molfinder