N-[[5-[(E)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]furan-2-yl]methyl]-N'-phenyloxamide

Formula:C22H18N5O5Br Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[[5-[(E)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]furan-2-yl]methyl]-N'-phenyloxamide is not a drug-like molecule.

MolName	N-[[5-[(E)-[[2-(2-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]furan-2-yl]methyl]-N'-phenyloxamide
MolecularFormula	C22H18N5O5Br
Smiles	O=C(C(Nc1ccccc1)=O)NCc1ccc(/C=N/NC(C(Nc(cccc2)c2Br)=O)=O)o1
InChI	InChI=1S/C22H18BrN5O5/c23-17-8-4-5-9-18(17)27-21(31)22(32)28-25-13-16-11-10-15(33-16)12-24-19(29)20(30)26-14-6-2-1-3-7-14/h1-11,13H,12H2,(H,24,29)(H,26,30)(H,27,31)(H,28,32)
InChIK	FYFHMMUVFIYJRC-UHFFFAOYSA-N
TotalMolweight	512.319
Molweight	512.319
MonoisotopicMass	511.049131
CLogP	1.911
CLogS	-5.197
H Acceptors	10
H Donors	4
TotalSurfaceArea	356.46
Relative PSA	0.3468
PolarSurfaceArea	141.9
Druglikeness	4.1477
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.66667
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	2
Amides	3
StereoCon

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