Molecule

ID:96802

General Information
Structure
MolImage
Molecular Formula
C₁₉H₃F₃₅O₇
Molecular Mass
1008.167032
Exact Mass
1007.93199014
Charge
0
InChI
InChI=1S/C19H3F35O7/c1-56-2(55)3(20,9(27,28)29)57-16(47,48)5(23,11(33,34)35)59-18(51,52)7(25,13(39,40)41)61-19(53,54)8(26,14(42,43)44)60-17(49,50)6(24,12(36,37)38)58-15(45,46)4(21,22)10(30,31)32/h1H3
InChIKey
NAACZQXGLFTQLX-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(OC(C(C(F)(F)F)(F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F)(F)F)F
Isomeric Smiles
O(C(C(OC(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)F)(F)F)C(C(OC(C(OC(C(OC(C(=O)OC)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
6
H Donor
0
LogD (pH = 5.5)
13.688887
LogD (pH = 7.4)
13.688887
Log P
13.688887
Molar Refractivity
107.1675
Polarizability
41.76451
Polar Surface Area
72.45
Rotatable Bonds
23
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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