[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate

Formula:C23H16N2O6BrCl Mutagenic:none Tumorigenic:none Reproductive Effective:high [3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate is not a drug-like molecule.

MolName	[3-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 1,3-benzodioxole-5-carboxylate
MolecularFormula	C23H16N2O6BrCl
Smiles	O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c1cc(OC(c(cc2)cc3c2OCO3)=O)ccc1
InChI	InChI=1S/C23H16BrClN2O6/c24-18-10-16(25)5-7-19(18)30-12-22(28)27-26-11-14-2-1-3-17(8-14)33-23(29)15-4-6-20-21(9-15)32-13-31-20/h1-11H,12-13H2,(H,27,28)
InChIK	HVRLDPOSAAGHDN-UHFFFAOYSA-N
TotalMolweight	531.745
Molweight	531.745
MonoisotopicMass	529.988026
CLogP	5.6496
CLogS	-7.252
H Acceptors	8
H Donors	1
TotalSurfaceArea	352.57
Relative PSA	0.25257
PolarSurfaceArea	95.45
Druglikeness	2.2014
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	6
StereoCon

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