[4-bromo-2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate

Formula:C22H14N2O4BrCl3 Mutagenic:high Tumorigenic:high Reproductive Effective:high [4-bromo-2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(2,4-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-chlorobenzoate
MolecularFormula	C22H14N2O4BrCl3
Smiles	O=C(COc(ccc(Cl)c1)c1Cl)N/N=C\c(cc(cc1)Br)c1OC(c(cccc1)c1Cl)=O
InChI	InChI=1S/C22H14BrCl3N2O4/c23-14-5-7-19(32-22(30)16-3-1-2-4-17(16)25)13(9-14)11-27-28-21(29)12-31-20-8-6-15(24)10-18(20)26/h1-11H,12H2,(H,28,29)
InChIK	UNKQNXHAFFSHKR-UHFFFAOYSA-N
TotalMolweight	556.626
Molweight	556.626
MonoisotopicMass	553.92025
CLogP	6.7502
CLogS	-8.013
H Acceptors	6
H Donors	1
TotalSurfaceArea	363.15
Relative PSA	0.19014
PolarSurfaceArea	76.99
Druglikeness	2.2306
Mutagenic	high
Tumorigenic	high
Reproductive Effective	high
Irritant	high
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.59375
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	3
StereoCon

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