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N-[(E)-[4-[(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,2,2-tetrafluorobutoxy]-3,3,4,4-tetrafluorobutylidene]amino]-2,4-dinitroaniline

Formula:C20H14N8O9F8 Mutagenic:none Tumorigenic:high Reproductive Effective:none N-[(E)-[4-[(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,2,2-tetrafluorobutoxy]-3,3,4,4-tetrafluorobutylidene]amino]-2,4-dinitroaniline is not a drug-like molecule.
MolNameN-[(E)-[4-[(4Z)-4-[(2,4-dinitrophenyl)hydrazinylidene]-1,1,2,2-tetrafluorobutoxy]-3,3,4,4-tetrafluorobutylidene]amino]-2,4-dinitroaniline
MolecularFormulaC20H14N8O9F8
Smiles[O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C/CC(C(OC(C(C/C=N\Nc(ccc([N+]([O-])=O)c1)c1[N+]([O-])=O)(F)F)(F)F)(F)F)(F)F)=O
InChIInChI=1S/C20H14F8N8O9/c21-17(22,5-7-29-31-13-3-1-11(33(37)38)9-15(13)35(41)42)19(25,26)45-20(27,28)18(23,24)6-8-30-32-14-4-2-12(34(39)40)10-16(14)36(43)44/h1-4,7-10,31-32H,5-6H2
InChIKBMUDXDBMNGSDHS-UHFFFAOYSA-N
TotalMolweight662.362
Molweight662.362
MonoisotopicMass662.075601
CLogP5.1629
CLogS-7.885
H Acceptors17
H Donors2
TotalSurfaceArea430.1
Relative PSA0.41297
PolarSurfaceArea241.29
Druglikeness-34.55
Mutagenicnone
Tumorigenichigh
Reproductive Effectivenone
Irritanthigh
Nasty Functionsaromatic nitro; imine/hydrazone of aldehyde
Shape Index0.55556
Fragments1
Non HAtoms45
NonCHAtoms25
Electronegative Atoms25
Rotatable Bond16
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms11
Symmetricatoms4
AcidicOxygens4
StereoCon

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