Molecule

ID:6522

General Information
Structure
MolImage
Molecular Formula
C₄H₃F₇O
Molecular Mass
200.0548424
Exact Mass
200.00721226
Charge
0
InChI
InChI=1S/C4H3F7O/c5-2(6,1-12)3(7,8)4(9,10)11/h12H,1H2
InChIKey
WXJFKAZDSQLPBX-UHFFFAOYSA-N
Canonic Smiles
OCC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(O)C(C(C(F)(F)F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.614922
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8378046
LogD (pH = 7.4)
1.8378019
Log P
1.8378046
Molar Refractivity
23.0474
Polarizability
8.840368
Polar Surface Area
20.23
Rotatable Bonds
3
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
No Data Available
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Molecule Details
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References
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Bioactivity
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