[4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C22H14N3O4Br2Cl Mutagenic:high Tumorigenic:high Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C22H14N3O4Br2Cl
Smiles	O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cc1)ccc1Br
InChI	InChI=1S/C22H14Br2ClN3O4/c23-15-3-8-18(9-4-15)27-20(29)21(30)28-26-12-14-11-16(24)5-10-19(14)32-22(31)13-1-6-17(25)7-2-13/h1-12H,(H,27,29)(H,28,30)
InChIK	NQGBGMISUDACMY-UHFFFAOYSA-N
TotalMolweight	579.631
Molweight	579.631
MonoisotopicMass	576.903956
CLogP	5.6308
CLogS	-7.399
H Acceptors	7
H Donors	2
TotalSurfaceArea	356.39
Relative PSA	0.23443
PolarSurfaceArea	96.86
Druglikeness	1.6263
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.625
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	1
StereoCon

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1 - [4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

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