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5-chloro-4-[(2Z)-2-[2-[4-[(E,3Z)-3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]-3-phenylprop-1-enyl]phenyl]-1-phenylethylidene]hydrazinyl]-1H-pyridazin-6-one

Formula:C31H24N8O2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-chloro-4-[(2Z)-2-[2-[4-[(E,3Z)-3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]-3-phenylprop-1-enyl]phenyl]-1-phenylethylidene]hydrazinyl]-1H-pyridazin-6-one is not a drug-like molecule.
MolName5-chloro-4-[(2Z)-2-[2-[4-[(E,3Z)-3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]-3-phenylprop-1-enyl]phenyl]-1-phenylethylidene]hydrazinyl]-1H-pyridazin-6-one
MolecularFormulaC31H24N8O2Cl2
SmilesO=C1NN=CC(N/N=C(/Cc2ccc(/C=C/C(/c3ccccc3)=N/NC(C=NNC3=O)=C3Cl)cc2)\c2ccccc2)=C1Cl
InChIInChI=1S/C31H24Cl2N8O2/c32-28-26(18-34-40-30(28)42)38-36-24(22-7-3-1-4-8-22)16-15-20-11-13-21(14-12-20)17-25(23-9-5-2-6-10-23)37-39-27-19-35-41-31(43)29(27)33/h1-16,18-19H,17H2,(H2,38,40,42)(H2,39,41,43)
InChIKQBAAUHGRHOCIRO-UHFFFAOYSA-N
TotalMolweight611.492
Molweight611.492
MonoisotopicMass610.139926
CLogP4.6967
CLogS-9.529
H Acceptors10
H Donors4
TotalSurfaceArea459.52
Relative PSA0.2567
PolarSurfaceArea131.7
Druglikeness4.0304
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions2-halo-enone
Shape Index0.48837
Fragments1
Non HAtoms43
NonCHAtoms12
Electronegative Atoms12
Rotatable Bond10
Rings Closures5
Small Rings5
Aromatic Rings3
Aromatic Atoms18
Sp3Atoms1
Symmetricatoms6
StereoCon

Request More Details | 5-chloro-4-[(2Z)-2-[2-[4-[(E,3Z)-3-[(5-chloro-6-oxo-1H-pyridazin-4-yl)hydrazinylidene]-3-phenylprop-1-enyl]phenyl]-1-phenylethylidene]hydrazinyl]-1H-pyridazin-6-one


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