[2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H13N2O6Br5 Mutagenic:low Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H13N2O6Br5
Smiles	O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(cc(cc1Br)Br)c1OC(c(cc1)cc2c1OCO2)=O
InChI	InChI=1S/C23H13Br5N2O6/c24-13-3-12(8-29-30-20(31)9-33-22-16(27)6-14(25)7-17(22)28)21(15(26)5-13)36-23(32)11-1-2-18-19(4-11)35-10-34-18/h1-8H,9-10H2,(H,30,31)
InChIK	KFBHDFRHCUBLPK-UHFFFAOYSA-N
TotalMolweight	812.884
Molweight	812.884
MonoisotopicMass	807.669043
CLogP	7.9444
CLogS	-9.852
H Acceptors	8
H Donors	1
TotalSurfaceArea	411.67
Relative PSA	0.21631
PolarSurfaceArea	95.45
Druglikeness	2.1471
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.55556
Fragments	1
Non HAtoms	36
NonCHAtoms	13
Electronegative Atoms	13
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
Symmetricatoms	3
StereoCon

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1 - [2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate | 2 - [2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

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