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2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[3-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide

Formula:C20H16N8O2F6 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[3-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide is not a drug-like molecule.
MolName2-[3-(trifluoromethyl)pyrazol-1-yl]-N-[(Z)-[3-[(Z)-[[2-[3-(trifluoromethyl)pyrazol-1-yl]acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
MolecularFormulaC20H16N8O2F6
SmilesO=C(Cn1nc(C(F)(F)F)cc1)N/N=C\c1cccc(/C=N\NC(Cn2nc(C(F)(F)F)cc2)=O)c1
InChIInChI=1S/C20H16F6N8O2/c21-19(22,23)15-4-6-33(31-15)11-17(35)29-27-9-13-2-1-3-14(8-13)10-28-30-18(36)12-34-7-5-16(32-34)20(24,25)26/h1-10H,11-12H2,(H,29,35)(H,30,36)
InChIKFTNZVMSJUBFPPM-UHFFFAOYSA-N
TotalMolweight514.389
Molweight514.389
MonoisotopicMass514.13004
CLogP1.662
CLogS-3.898
H Acceptors10
H Donors2
TotalSurfaceArea363.08
Relative PSA0.29663
PolarSurfaceArea118.56
Druglikeness-5.4088
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.63889
Fragments1
Non HAtoms36
NonCHAtoms16
Electronegative Atoms16
Rotatable Bond10
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms4
Symmetricatoms19
Aromatic Nitrogens4
StereoCon

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