3-bromo-N-[(E)-(4,4,4-trifluoro-1-oxo-1-thiophen-2-ylbutan-2-ylidene)amino]benzamide

Formula:C15H10N2O2BrF3S Mutagenic:none Tumorigenic:none Reproductive Effective:none 3-bromo-N-[(E)-(4,4,4-trifluoro-1-oxo-1-thiophen-2-ylbutan-2-ylidene)amino]benzamide is a drug-like molecule.

MolName	3-bromo-N-[(E)-(4,4,4-trifluoro-1-oxo-1-thiophen-2-ylbutan-2-ylidene)amino]benzamide
MolecularFormula	C15H10N2O2BrF3S
Smiles	O=C(/C(/CC(F)(F)F)=N/NC(c1cccc(Br)c1)=O)c1cccs1
InChI	InChI=1S/C15H10BrF3N2O2S/c16-10-4-1-3-9(7-10)14(23)21-20-11(8-15(17,18)19)13(22)12-5-2-6-24-12/h1-7H,8H2,(H,21,23)
InChIK	BLAIAWOIGODQFK-UHFFFAOYSA-N
TotalMolweight	419.22
Molweight	419.22
MonoisotopicMass	417.959843
CLogP	4.0714
CLogS	-5.857
H Acceptors	4
H Donors	1
TotalSurfaceArea	260.74
Relative PSA	0.2662
PolarSurfaceArea	86.77
Druglikeness	-7.6349
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone
Shape Index	0.5
Fragments	1
Non HAtoms	24
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	6
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	11
Sp3Atoms	2
Symmetricatoms	2
StereoCon

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1 - 3-bromo-N-[(E)-(4,4,4-trifluoro-1-oxo-1-thiophen-2-ylbutan-2-ylidene)amino]benzamide | 2 - 3-bromo-N-[(E)-(4,4,4-trifluoro-1-oxo-1-thiophen-2-ylbutan-2-ylidene)amino]benzamide

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