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(4E)-1,1,1-trifluoro-5-(2-phenylhydrazinyl)-4-(phenylhydrazinylidene)-2-(trifluoromethyl)pentan-2-ol

Formula:C18H18N4OF6 Mutagenic:none Tumorigenic:high Reproductive Effective:none (4E)-1,1,1-trifluoro-5-(2-phenylhydrazinyl)-4-(phenylhydrazinylidene)-2-(trifluoromethyl)pentan-2-ol is not a drug-like molecule.
MolName(4E)-1,1,1-trifluoro-5-(2-phenylhydrazinyl)-4-(phenylhydrazinylidene)-2-(trifluoromethyl)pentan-2-ol
MolecularFormulaC18H18N4OF6
SmilesOC(C/C(/CNNc1ccccc1)=N\Nc1ccccc1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C18H18F6N4O/c19-17(20,21)16(29,18(22,23)24)11-15(28-27-14-9-5-2-6-10-14)12-25-26-13-7-3-1-4-8-13/h1-10,25-27,29H,11-12H2
InChIKAXJDZDKCBPSPAP-UHFFFAOYSA-N
TotalMolweight420.356
Molweight420.356
MonoisotopicMass420.138479
CLogP6.0483
CLogS-4.447
H Acceptors5
H Donors4
TotalSurfaceArea293.57
Relative PSA0.20094
PolarSurfaceArea68.68
Druglikeness-15.6
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.48276
Fragments1
Non HAtoms29
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond10
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms7
Symmetricatoms10
StereoCon

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