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

Formula:C19H13N3O6Br2 Mutagenic:none Tumorigenic:none Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
MolName[2,4-dibromo-6-[(Z)-[[2-(furan-2-carbonylamino)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
MolecularFormulaC19H13N3O6Br2
SmilesO=C(CNC(c1ccco1)=O)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccco1)=O
InChIInChI=1S/C19H13Br2N3O6/c20-12-7-11(17(13(21)8-12)30-19(27)15-4-2-6-29-15)9-23-24-16(25)10-22-18(26)14-3-1-5-28-14/h1-9H,10H2,(H,22,26)(H,24,25)
InChIKSVKVRLIONDBPNT-UHFFFAOYSA-N
TotalMolweight539.135
Molweight539.135
MonoisotopicMass536.917109
CLogP3.5436
CLogS-5.99
H Acceptors9
H Donors2
TotalSurfaceArea334.11
Relative PSA0.33453
PolarSurfaceArea123.14
Druglikeness3.5254
Mutagenicnone
Tumorigenicnone
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.56667
Fragments1
Non HAtoms30
NonCHAtoms11
Electronegative Atoms11
Rotatable Bond8
Rings Closures3
Small Rings3
Aromatic Rings3
Aromatic Atoms16
Sp3Atoms2
Amides1
StereoCon

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