[2-bromo-6-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] 4-bromobenzoate

Formula:C22H13N3O6Br2Cl2 Mutagenic:high Tumorigenic:high Reproductive Effective:high [2-bromo-6-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] 4-bromobenzoate is not a drug-like molecule.

MolName	[2-bromo-6-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenyl] 4-bromobenzoate
MolecularFormula	C22H13N3O6Br2Cl2
Smiles	[O-][N+](c(cc1/C=N\NC(COc(ccc(Cl)c2)c2Cl)=O)cc(Br)c1OC(c(cc1)ccc1Br)=O)=O
InChI	InChI=1S/C22H13Br2Cl2N3O6/c23-14-3-1-12(2-4-14)22(31)35-21-13(7-16(29(32)33)9-17(21)24)10-27-28-20(30)11-34-19-6-5-15(25)8-18(19)26/h1-10H,11H2,(H,28,30)
InChIK	BFMAHWUMCULCPE-UHFFFAOYSA-N
TotalMolweight	646.074
Molweight	646.074
MonoisotopicMass	642.854813
CLogP	5.9478
CLogS	-8.571
H Acceptors	9
H Donors	1
TotalSurfaceArea	390.03
Relative PSA	0.25503
PolarSurfaceArea	122.81
Druglikeness	-2.8167
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.57143
Fragments	1
Non HAtoms	35
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

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