[2,4-dibromo-6-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate

Formula:C26H17N2O3Br3 Mutagenic:none Tumorigenic:high Reproductive Effective:high [2,4-dibromo-6-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.

MolName[2,4-dibromo-6-[(Z)-[[2-(4-bromonaphthalen-1-yl)acetyl]hydrazinylidene]methyl]phenyl] benzoate
MolecularFormulaC26H17N2O3Br3
SmilesO=C(Cc(c1ccccc11)ccc1Br)N/N=C\c1cc(Br)cc(Br)c1OC(c1ccccc1)=O
InChIInChI=1S/C26H17Br3N2O3/c27-19-12-18(25(23(29)14-19)34-26(33)16-6-2-1-3-7-16)15-30-31-24(32)13-17-10-11-22(28)21-9-5-4-8-20(17)21/h1-12,14-15H,13H2,(H,31,32)
InChIKGXBLRPZKMMWZJQ-UHFFFAOYSA-N
TotalMolweight645.144
Molweight645.144
MonoisotopicMass641.878926
CLogP8.0002
CLogS-9.264
H Acceptors5
H Donors1
TotalSurfaceArea378.75
Relative PSA0.15591
PolarSurfaceArea67.76
Druglikeness2.239
Mutagenicnone
Tumorigenichigh
Reproductive Effectivehigh
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.52941
Fragments1
Non HAtoms34
NonCHAtoms8
Electronegative Atoms8
Rotatable Bond7
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms22
Sp3Atoms2
Symmetricatoms2
StereoCon

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