Molecule

ID:100645

General Information
Structure
MolImage
Molecular Formula
C₁₇F₃₂O₇
Molecular Mass
924.1266024
Exact Mass
923.91330538
Charge
0
InChI
InChI=1S/C17F32O7/c18-1(50)3(20,8(25,26)27)52-13(40,41)5(22,10(31,32)33)54-15(44,45)7(24,12(37,38)39)56-17(48,49)16(46,47)55-6(23,11(34,35)36)14(42,43)53-4(21,2(19)51)9(28,29)30
InChIKey
LXDDXXAFOATVOT-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(OC(C(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)F)(F)F)F
Isomeric Smiles
O(C(C(OC(C(OC(C(OC(C(OC(C(F)(F)F)(C(=O)F)F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(F)(F)F)(C(=O)F)F
Calculated Properties
JChem
H Acceptors
7
H Donor
0
LogD (pH = 5.5)
12.161096
LogD (pH = 7.4)
12.161096
Log P
12.161096
Molar Refractivity
96.9621
Polarizability
37.627575
Polar Surface Area
80.29
Rotatable Bonds
21
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
References
Bioactivity
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