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

Formula:C22H14N2O4Br4 Mutagenic:low Tumorigenic:none Reproductive Effective:high [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate is not a drug-like molecule.

MolName[4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 2-bromobenzoate
MolecularFormulaC22H14N2O4Br4
SmilesO=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(cc1)ccc1OC(c(cccc1)c1Br)=O
InChIInChI=1S/C22H14Br4N2O4/c23-14-9-18(25)21(19(26)10-14)31-12-20(29)28-27-11-13-5-7-15(8-6-13)32-22(30)16-3-1-2-4-17(16)24/h1-11H,12H2,(H,28,29)
InChIKOQTZRHCYHCUQPP-UHFFFAOYSA-N
TotalMolweight689.979
Molweight689.979
MonoisotopicMass685.768702
CLogP7.1078
CLogS-8.307
H Acceptors6
H Donors1
TotalSurfaceArea372.78
Relative PSA0.18523
PolarSurfaceArea76.99
Druglikeness2.1789
Mutageniclow
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring
Shape Index0.65625
Fragments1
Non HAtoms32
NonCHAtoms10
Electronegative Atoms10
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms3
Symmetricatoms5
StereoCon

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