Molecule

ID:99033

General Information
Structure
MolImage
Molecular Formula
C₇H₃F₁₃O
Molecular Mass
350.0773616
Exact Mass
349.99763158
Charge
0
InChI
InChI=1S/C7H3F13O/c1-21-4(11,3(9,10)7(18,19)20)2(8,5(12,13)14)6(15,16)17/h1H3
InChIKey
QKAGYSDHEJITFV-UHFFFAOYSA-N
Canonic Smiles
COC(C(C(F)(F)F)(C(F)(F)F)F)(C(C(F)(F)F)(F)F)F
Isomeric Smiles
O(C(C(F)(F)C(F)(F)F)(F)C(C(F)(F)F)(C(F)(F)F)F)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.50542
LogD (pH = 7.4)
4.50542
Log P
4.50542
Molar Refractivity
37.9474
Polarizability
14.636827
Polar Surface Area
9.23
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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