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[3-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate

Formula:C28H20N3O4BrS Mutagenic:none Tumorigenic:none Reproductive Effective:none [3-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
MolName[3-[(Z)-[[(E)-2-benzamido-3-thiophen-2-ylprop-2-enoyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
MolecularFormulaC28H20N3O4BrS
SmilesO=C(/C(/NC(c1ccccc1)=O)=C\c1cccs1)N/N=C\c1cccc(OC(c2cccc(Br)c2)=O)c1
InChIInChI=1S/C28H20BrN3O4S/c29-22-11-5-10-21(16-22)28(35)36-23-12-4-7-19(15-23)18-30-32-27(34)25(17-24-13-6-14-37-24)31-26(33)20-8-2-1-3-9-20/h1-18H,(H,31,33)(H,32,34)
InChIKRKWRWRLZRJIFTA-UHFFFAOYSA-N
TotalMolweight574.454
Molweight574.454
MonoisotopicMass573.035788
CLogP6.8406
CLogS-7.78
H Acceptors7
H Donors2
TotalSurfaceArea402.75
Relative PSA0.258
PolarSurfaceArea125.1
Druglikeness5.5922
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsacyl-hydrazone; imine/hydrazone of aldehyde
Shape Index0.54054
Fragments1
Non HAtoms37
NonCHAtoms9
Electronegative Atoms9
Rotatable Bond9
Rings Closures4
Small Rings4
Aromatic Rings4
Aromatic Atoms23
Sp3Atoms1
Symmetricatoms2
Amides1
StereoCon

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