N-[2-[(2Z)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide

Formula:C21H17N3O3Br2 Mutagenic:high Tumorigenic:none Reproductive Effective:none N-[2-[(2Z)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide is not a drug-like molecule.

MolName	N-[2-[(2Z)-2-[(4,5-dibromofuran-2-yl)methylidene]hydrazinyl]-2-oxoethyl]-2,2-diphenylacetamide
MolecularFormula	C21H17N3O3Br2
Smiles	O=C(CNC(C(c1ccccc1)c1ccccc1)=O)N/N=C\c(o1)cc(Br)c1Br
InChI	InChI=1S/C21H17Br2N3O3/c22-17-11-16(29-20(17)23)12-25-26-18(27)13-24-21(28)19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,19H,13H2,(H,24,28)(H,26,27)
InChIK	PKWOGCSHGYCVDS-UHFFFAOYSA-N
TotalMolweight	519.192
Molweight	519.192
MonoisotopicMass	516.963664
CLogP	4.5475
CLogS	-5.715
H Acceptors	6
H Donors	2
TotalSurfaceArea	329.17
Relative PSA	0.22669
PolarSurfaceArea	83.7
Druglikeness	1.0638
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	1,2-dihalo-alkene; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	2
Symmetricatoms	8
Amides	1
StereoCon

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