(E)-3-(3-nitrophenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

Formula:C15H9N3O3F4 Mutagenic:none Tumorigenic:none Reproductive Effective:none (E)-3-(3-nitrophenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide is a drug-like molecule.

MolName(E)-3-(3-nitrophenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide
MolecularFormulaC15H9N3O3F4
Smiles[O-][N+](c1cccc(/C=C/C(NNc(c(F)c(cc2F)F)c2F)=O)c1)=O
InChIInChI=1S/C15H9F4N3O3/c16-10-7-11(17)14(19)15(13(10)18)21-20-12(23)5-4-8-2-1-3-9(6-8)22(24)25/h1-7,21H,(H,20,23)
InChIKMNIBCAJVBLUBPW-UHFFFAOYSA-N
TotalMolweight355.246
Molweight355.246
MonoisotopicMass355.058004
CLogP3.0677
CLogS-4.824
H Acceptors6
H Donors2
TotalSurfaceArea249.26
Relative PSA0.26631
PolarSurfaceArea86.95
Druglikeness-5.8745
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsaromatic nitro; polyhalo aromatic ring
Shape Index0.56
Fragments1
Non HAtoms25
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond5
Rings Closures2
Small Rings2
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms2
Symmetricatoms4
AcidicOxygens1
StereoCon

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