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

Formula:C22H15N3O6BrCl Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(4-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C22H15N3O6BrCl
Smiles	[O-][N+](c(cc1)ccc1OCC(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O)=O
InChI	InChI=1S/C22H15BrClN3O6/c23-16-3-10-20(33-22(29)14-1-4-17(24)5-2-14)15(11-16)12-25-26-21(28)13-32-19-8-6-18(7-9-19)27(30)31/h1-12H,13H2,(H,26,28)
InChIK	KFAMFBAMTZISJN-UHFFFAOYSA-N
TotalMolweight	532.733
Molweight	532.733
MonoisotopicMass	530.983275
CLogP	4.6166
CLogS	-7.001
H Acceptors	9
H Donors	1
TotalSurfaceArea	355.98
Relative PSA	0.27943
PolarSurfaceArea	122.81
Druglikeness	-2.8167
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.63636
Fragments	1
Non HAtoms	33
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	9
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	4
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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