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

Formula:C22H15N3O4BrF Mutagenic:high Tumorigenic:none Reproductive Effective:none [4-bromo-2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(4-fluoroanilino)-2-oxoacetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormula	C22H15N3O4BrF
Smiles	O=C(C(N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O)=O)Nc(cc1)ccc1F
InChI	InChI=1S/C22H15BrFN3O4/c23-16-6-11-19(31-22(30)14-4-2-1-3-5-14)15(12-16)13-25-27-21(29)20(28)26-18-9-7-17(24)8-10-18/h1-13H,(H,26,28)(H,27,29)
InChIK	HFJUKHQGOLYTKF-UHFFFAOYSA-N
TotalMolweight	484.28
Molweight	484.28
MonoisotopicMass	483.022996
CLogP	4.4004
CLogS	-6.143
H Acceptors	7
H Donors	2
TotalSurfaceArea	328.69
Relative PSA	0.25419
PolarSurfaceArea	96.86
Druglikeness	0.245
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide
Shape Index	0.6129
Fragments	1
Non HAtoms	31
NonCHAtoms	9
Electronegative Atoms	9
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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