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

Formula:C26H18N2O5Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.

MolName[2,4-dibromo-6-[(Z)-[[2-(2-phenylphenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormulaC26H18N2O5Br2
SmilesO=C(COc(cccc1)c1-c1ccccc1)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O
InChIInChI=1S/C26H18Br2N2O5/c27-19-13-18(25(21(28)14-19)35-26(32)23-11-6-12-33-23)15-29-30-24(31)16-34-22-10-5-4-9-20(22)17-7-2-1-3-8-17/h1-15H,16H2,(H,30,31)
InChIKXSOWHOHEIIQLAI-UHFFFAOYSA-N
TotalMolweight598.246
Molweight598.246
MonoisotopicMass595.958245
CLogP6.5053
CLogS-8.407
H Acceptors7
H Donors1
TotalSurfaceArea384.97
Relative PSA0.21602
PolarSurfaceArea90.13
Druglikeness2.4585
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.54286
Fragments1
Non HAtoms35
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms3
Symmetricatoms2
StereoCon

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