[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate

Formula:C22H14N3O4BrCl2 Mutagenic:none Tumorigenic:high Reproductive Effective:none [4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(4-bromoanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 2,4-dichlorobenzoate
MolecularFormula	C22H14N3O4BrCl2
Smiles	O=C(C(N/N=C\c(cc1)ccc1OC(c(ccc(Cl)c1)c1Cl)=O)=O)Nc(cc1)ccc1Br
InChI	InChI=1S/C22H14BrCl2N3O4/c23-14-3-6-16(7-4-14)27-20(29)21(30)28-26-12-13-1-8-17(9-2-13)32-22(31)18-10-5-15(24)11-19(18)25/h1-12H,(H,27,29)(H,28,30)
InChIK	BRAQQMKVLAZVSD-UHFFFAOYSA-N
TotalMolweight	535.18
Molweight	535.18
MonoisotopicMass	532.954472
CLogP	5.5116
CLogS	-7.301
H Acceptors	7
H Donors	2
TotalSurfaceArea	353.18
Relative PSA	0.23656
PolarSurfaceArea	96.86
Druglikeness	1.6263
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	low
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.6875
Fragments	1
Non HAtoms	32
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3Atoms	1
Symmetricatoms	4
Amides	1
StereoCon

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