Molecule
ID:11804
General Information
Molecular Formula
C₆H₅F₇O
Molecular Mass
226.0921224
Exact Mass
226.02286232
Charge
0
InChI
InChI=1S/C6H5F7O/c1-2-3-14-4(7,5(8,9)10)6(11,12)13/h2H,1,3H2
InChIKey
FXUHCQHWDACOKK-UHFFFAOYSA-N
Canonic Smiles
C=CCOC(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
O(C(C(F)(F)F)(C(F)(F)F)F)CC=C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3964057
LogD (pH = 7.4)
3.3964057
Log P
3.3964057
Molar Refractivity
32.832
Polarizability
11.889144
Polar Surface Area
9.23
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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