[2-bromo-4-[(Z)-[[2-(2,4,6-tribromo-3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Formula:C22H12N3O6Br4Cl Mutagenic:high Tumorigenic:high Reproductive Effective:high [2-bromo-4-[(Z)-[[2-(2,4,6-tribromo-3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate is not a drug-like molecule.

MolName	[2-bromo-4-[(Z)-[[2-(2,4,6-tribromo-3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate
MolecularFormula	C22H12N3O6Br4Cl
Smiles	[O-][N+](c(cc1)ccc1C(Oc(ccc(/C=N\NC(COc(c(Br)c(c(Br)c1)Cl)c1Br)=O)c1)c1Br)=O)=O
InChI	InChI=1S/C22H12Br4ClN3O6/c23-14-7-11(1-6-17(14)36-22(32)12-2-4-13(5-3-12)30(33)34)9-28-29-18(31)10-35-21-16(25)8-15(24)20(27)19(21)26/h1-9H,10H2,(H,29,31)
InChIK	UDPXLSKRQGCMCU-UHFFFAOYSA-N
TotalMolweight	769.421
Molweight	769.421
MonoisotopicMass	764.714808
CLogP	6.7922
CLogS	-9.503
H Acceptors	9
H Donors	1
TotalSurfaceArea	411.87
Relative PSA	0.24151
PolarSurfaceArea	122.81
Druglikeness	-2.8167
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.63889
Fragments	1
Non HAtoms	36
NonCHAtoms	14
Electronegative Atoms	14
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	2
AcidicOxygens	1
StereoCon

Click to Load Molecule:

1 - [2-bromo-4-[(Z)-[[2-(2,4,6-tribromo-3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate | 2 - [2-bromo-4-[(Z)-[[2-(2,4,6-tribromo-3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

Request More Details | [2-bromo-4-[(Z)-[[2-(2,4,6-tribromo-3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-nitrobenzoate

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments