3-nitro-N'-[(E)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl]benzohydrazide

Formula:C15H10N3O4F3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-nitro-N'-[(E)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl]benzohydrazide is a drug-like molecule.

MolName	3-nitro-N'-[(E)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl]benzohydrazide
MolecularFormula	C15H10N3O4F3S
Smiles	[O-][N+](c1cccc(C(NN/C(/C(F)(F)F)=C/C(c2cccs2)=O)=O)c1)=O
InChI	InChI=1S/C15H10F3N3O4S/c16-15(17,18)13(8-11(22)12-5-2-6-26-12)19-20-14(23)9-3-1-4-10(7-9)21(24)25/h1-8,19H,(H,20,23)
InChIK	DULOFFZDFQZJGE-UHFFFAOYSA-N
TotalMolweight	385.321
Molweight	385.321
MonoisotopicMass	385.034411
CLogP	1.9229
CLogS	-5.434
H Acceptors	7
H Donors	2
TotalSurfaceArea	265.22
Relative PSA	0.37622
PolarSurfaceArea	132.26
Druglikeness	-7.3834
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.53846
Fragments	1
Non HAtoms	26
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - 3-nitro-N'-[(E)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl]benzohydrazide | 2 - 3-nitro-N'-[(E)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl]benzohydrazide

Request More Details | 3-nitro-N'-[(E)-1,1,1-trifluoro-4-oxo-4-thiophen-2-ylbut-2-en-2-yl]benzohydrazide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments