Molecule

ID:8075

General Information
Structure
MolImage
Molecular Formula
C₇H₈F₄O₂
Molecular Mass
200.1308328
Exact Mass
200.04604238
Charge
0
InChI
InChI=1S/C7H8F4O2/c1-4(2)5(12)13-3-7(10,11)6(8)9/h6H,1,3H2,2H3
InChIKey
RSVZYSKAPMBSMY-UHFFFAOYSA-N
Canonic Smiles
FC(C(COC(=O)C(=C)C)(F)F)F
Isomeric Smiles
O(C(=O)C(=C)C)CC(F)(F)C(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4747036
LogD (pH = 7.4)
2.4747036
Log P
2.4747036
Molar Refractivity
35.646
Polarizability
13.674216
Polar Surface Area
26.3
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
No Data Available
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Molecule Details
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References
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Bioactivity
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