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C15H9N3O3F4 | Cheminformatics
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(E)-3-(3-nitrophenyl)-N'-(2,3,5,6-tetrafluorophenyl)prop-2-enehydrazide

Molecular 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

MolecularFormula : C15H9N3O3F4

Smiles : [O-][N+](c1cccc(/C=C/C(NNc(c(F)c(cc2F)F)c2F)=O)c1)=O

InChI : InChI=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)

InChIK : MNIBCAJVBLUBPW-UHFFFAOYSA-N

TotalMolweight : 355.246

Molweight : 355.246

MonoisotopicMass : 355.058004

CLogP : 3.0677

CLogS : -4.824

H Acceptors : 6

H Donors : 2

TotalSurfaceArea : 249.26

Relative PSA : 0.26631

PolarSurfaceArea : 86.95

Druglikeness : -5.8745

Mutagenic : none

Tumorigenic : none

Reproductive Effective : none

Irritant : none

Nasty Functions : aromatic nitro; polyhalo aromatic ring

Shape Index : 0.56

Fragments : 1

Non HAtoms : 25

NonCHAtoms : 10

Electronegative Atoms : 10

Rotatable Bond : 5

Rings Closures : 2

Small Rings : 2

Aromatic Rings : 2

Aromatic Atoms : 12

Sp3Atoms : 2

Symmetricatoms : 4

AcidicOxygens : 1

StereoCon :

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