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

Formula:C20H13N2O5Br3 Mutagenic:low Tumorigenic:none Reproductive Effective:high [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C20H13N2O5Br3
Smiles	O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(cc1)ccc1OC(c1ccco1)=O
InChI	InChI=1S/C20H13Br3N2O5/c21-13-8-15(22)19(16(23)9-13)29-11-18(26)25-24-10-12-3-5-14(6-4-12)30-20(27)17-2-1-7-28-17/h1-10H,11H2,(H,25,26)
InChIK	ZZJBOPMIDWPPPT-UHFFFAOYSA-N
TotalMolweight	601.044
Molweight	601.044
MonoisotopicMass	597.837456
CLogP	5.5713
CLogS	-7.155
H Acceptors	7
H Donors	1
TotalSurfaceArea	343.84
Relative PSA	0.24186
PolarSurfaceArea	90.13
Druglikeness	2.4585
Mutagenic	low
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index	0.66667
Fragments	1
Non HAtoms	30
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
Symmetricatoms	5
StereoCon

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