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(4Z)-1,1,1-trifluoro-4-phenyl-4-[(E)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol

Formula:C22H16N2O2F12 Mutagenic:none Tumorigenic:none Reproductive Effective:none (4Z)-1,1,1-trifluoro-4-phenyl-4-[(E)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol is not a drug-like molecule.
MolName(4Z)-1,1,1-trifluoro-4-phenyl-4-[(E)-[4,4,4-trifluoro-3-hydroxy-1-phenyl-3-(trifluoromethyl)butylidene]hydrazinylidene]-2-(trifluoromethyl)butan-2-ol
MolecularFormulaC22H16N2O2F12
SmilesOC(C/C(/c1ccccc1)=N\N=C(\CC(C(F)(F)F)(C(F)(F)F)O)/c1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C22H16F12N2O2/c23-19(24,25)17(37,20(26,27)28)11-15(13-7-3-1-4-8-13)35-36-16(14-9-5-2-6-10-14)12-18(38,21(29,30)31)22(32,33)34/h1-10,37-38H,11-12H2
InChIKOCYOZXHRTYHUGG-UHFFFAOYSA-N
TotalMolweight568.357
Molweight568.357
MonoisotopicMass568.102014
CLogP7.1338
CLogS-8.312
H Acceptors4
H Donors2
TotalSurfaceArea357.84
Relative PSA0.13755
PolarSurfaceArea65.18
Druglikeness-17.373
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsdimethylene-hydrazine
Shape Index0.31579
Fragments1
Non HAtoms38
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond11
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms10
Symmetricatoms16
StereoCon

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