Molecule

ID:97522

General Information
Structure
MolImage
Molecular Formula
C₇H₂ClF₁₁O
Molecular Mass
346.5256152
Exact Mass
345.96185278
Charge
0
InChI
InChI=1S/C7H2ClF11O/c1-2(8)3(9,5(12,13)14)20-7(18,19)4(10,11)6(15,16)17/h1H2
InChIKey
RHKBPIVJBGOMFL-UHFFFAOYSA-N
Canonic Smiles
ClC(=C)C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F
Isomeric Smiles
O(C(C(F)(F)C(F)(F)F)(F)F)C(C(=C)Cl)(F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.18195
LogD (pH = 7.4)
5.18195
Log P
5.18195
Molar Refractivity
42.7813
Polarizability
16.01723
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
false
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
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References
Bioactivity
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