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

Formula:C20H13N2O5Br2Cl Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[2,4-dibromo-6-[(Z)-[[2-(4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C20H13N2O5Br2Cl
Smiles	O=C(COc(cc1)ccc1Cl)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O
InChI	InChI=1S/C20H13Br2ClN2O5/c21-13-8-12(19(16(22)9-13)30-20(27)17-2-1-7-28-17)10-24-25-18(26)11-29-15-5-3-14(23)4-6-15/h1-10H,11H2,(H,25,26)
InChIK	PPEGGRJZSFPCJZ-UHFFFAOYSA-N
TotalMolweight	556.593
Molweight	556.593
MonoisotopicMass	553.887972
CLogP	5.4521
CLogS	-7.057
H Acceptors	7
H Donors	1
TotalSurfaceArea	340.63
Relative PSA	0.24414
PolarSurfaceArea	90.13
Druglikeness	2.5244
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.6
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	2
StereoCon

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