[4-bromo-2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate

Formula:C22H14N3O4BrClF Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
MolecularFormula	C22H14N3O4BrClF
Smiles	O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O)=O)Nc(cc1)ccc1F
InChI	InChI=1S/C22H14BrClFN3O4/c23-15-3-10-19(32-22(31)13-1-4-16(24)5-2-13)14(11-15)12-26-28-21(30)20(29)27-18-8-6-17(25)7-9-18/h1-12H,(H,27,29)(H,28,30)
InChIK	OCILTHGCCOUBKB-UHFFFAOYSA-N
TotalMolweight	518.725
Molweight	518.725
MonoisotopicMass	516.984023
CLogP	5.0064
CLogS	-6.879
H Acceptors	7
H Donors	2
TotalSurfaceArea	344.11
Relative PSA	0.2428
PolarSurfaceArea	96.86
Druglikeness	0.28631
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.625
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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