Molecule

ID:99334

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₇O₂
Molecular Mass
242.0915224
Exact Mass
242.01777694
Charge
0
InChI
InChI=1S/C6H5F7O2/c7-4(5(8,9)10,1-3-2-14-3)15-6(11,12)13/h3H,1-2H2
InChIKey
YLTWQTPPDBTMJI-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(OC(F)(F)F)CC1OC1
Isomeric Smiles
FC(C(OC(F)(F)F)(F)CC1CO1)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.410412
LogD (pH = 7.4)
3.410412
Log P
3.410412
Molar Refractivity
28.0228
Polarizability
12.377985
Polar Surface Area
18.46
Rotatable Bonds
5
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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