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2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane

Formula:C20H5OF35 Mutagenic:high Tumorigenic:high Reproductive Effective:none 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane is not a drug-like molecule.
MolName2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane
MolecularFormulaC20H5OF35
SmilesFC(CC1OC1)(C(C(C(C(C(C(C(C(C(C(C(C(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)F
InChIInChI=1S/C20H5F35O/c21-4(22,1-3-2-56-3)6(24,25)8(28,29)10(32,33)12(36,37)14(40,41)16(44,45)18(48,49)17(46,47)15(42,43)13(38,39)11(34,35)9(30,31)7(26,27)5(23,19(50,51)52)20(53,54)55/h3H,1-2H2/t3-/m0/s1
InChIKOKXFOOHGEWKLIY-VKHMYHEASA-N
TotalMolweight926.189
Molweight926.189
MonoisotopicMass925.978145
CLogP12.05
CLogS-13.193
H Acceptors1
TotalSurfaceArea456.89
Relative PSA0.038631
PolarSurfaceArea12.53
Druglikeness-85.24
Mutagenichigh
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionsoxiran/aziridine
Shape Index0.35714
Fragments1
Non HAtoms56
NonCHAtoms36
Electronegative Atoms36
StereoCenters1
Rotatable Bond18
Rings Closures1
Small Rings1
Sp3Atoms21
Symmetricatoms20
StereoConracemate

Request More Details | 2-[2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,17,17,17-dotriacontafluoro-16-(trifluoromethyl)heptadecyl]oxirane


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