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

Formula:C21H13N3O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName	[2,4-dibromo-6-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormula	C21H13N3O5Br2
Smiles	N#Cc(cccc1)c1OCC(N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O)=O
InChI	InChI=1S/C21H13Br2N3O5/c22-15-8-14(20(16(23)9-15)31-21(28)18-6-3-7-29-18)11-25-26-19(27)12-30-17-5-2-1-4-13(17)10-24/h1-9,11H,12H2,(H,26,27)
InChIK	FSQHZVGNOCOIDF-UHFFFAOYSA-N
TotalMolweight	547.158
Molweight	547.158
MonoisotopicMass	544.922194
CLogP	4.6817
CLogS	-7.094
H Acceptors	8
H Donors	1
TotalSurfaceArea	346.92
Relative PSA	0.2788
PolarSurfaceArea	113.92
Druglikeness	-1.8215
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	8
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	3
StereoCon

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