Molecule

ID:8848

General Information
Structure
MolImage
Molecular Formula
C₆H₆F₁₂O₅
Molecular Mass
386.0896784
Exact Mass
386.00236193
Charge
0
InChI
InChI=1S/2C3F6O.3H2O/c2*4-2(5,6)1(10)3(7,8)9;;;/h;;3*1H2
InChIKey
VAIZVCMDJPBJCM-UHFFFAOYSA-N
Canonic Smiles
O=C(C(F)(F)F)C(F)(F)F.O=C(C(F)(F)F)C(F)(F)F.O.O.O
Isomeric Smiles
O=C(C(F)(F)F)C(F)(F)F.O=C(C(F)(F)F)C(F)(F)F.O.O.O
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.370937
LogD (pH = 7.4)
2.370937
Log P
2.370937
Molar Refractivity
18.2152
Polarizability
6.654775
Polar Surface Area
17.07
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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