[4-bromo-2-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate

Formula:C20H12N2O5Br4 Mutagenic:high Tumorigenic:none Reproductive Effective:high [4-bromo-2-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[4-bromo-2-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C20H12N2O5Br4
Smiles	O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(cc(cc1)Br)c1OC(c1ccco1)=O
InChI	InChI=1S/C20H12Br4N2O5/c21-12-3-4-16(31-20(28)17-2-1-5-29-17)11(6-12)9-25-26-18(27)10-30-19-14(23)7-13(22)8-15(19)24/h1-9H,10H2,(H,26,27)
InChIK	ZFTYLLAUZVZORF-UHFFFAOYSA-N
TotalMolweight	679.94
Molweight	679.94
MonoisotopicMass	675.747967
CLogP	6.2965
CLogS	-7.989
H Acceptors	7
H Donors	1
TotalSurfaceArea	362.47
Relative PSA	0.22943
PolarSurfaceArea	90.13
Druglikeness	2.4585
Mutagenic	high
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.58065
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	3
StereoCon

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