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5-chloro-4-[(2E)-2-[(E)-4-[4-[(Z)-N-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-C-phenylcarbonimidoyl]phenyl]-1-phenylbut-2-enylidene]hydrazinyl]-1H-pyridazin-6-one

Formula:C31H24N8O2Cl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-chloro-4-[(2E)-2-[(E)-4-[4-[(Z)-N-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-C-phenylcarbonimidoyl]phenyl]-1-phenylbut-2-enylidene]hydrazinyl]-1H-pyridazin-6-one is not a drug-like molecule.
MolName5-chloro-4-[(2E)-2-[(E)-4-[4-[(Z)-N-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-C-phenylcarbonimidoyl]phenyl]-1-phenylbut-2-enylidene]hydrazinyl]-1H-pyridazin-6-one
MolecularFormulaC31H24N8O2Cl2
SmilesO=C1NN=CC(N/N=C(\C=C\Cc(cc2)ccc2/C(/c2ccccc2)=N\NC(C=NNC2=O)=C2Cl)/c2ccccc2)=C1Cl
InChIInChI=1S/C31H24Cl2N8O2/c32-27-25(18-34-40-30(27)42)37-36-24(21-9-3-1-4-10-21)13-7-8-20-14-16-23(17-15-20)29(22-11-5-2-6-12-22)39-38-26-19-35-41-31(43)28(26)33/h1-7,9-19H,8H2,(H2,37,40,42)(H2,38,41,43)
InChIKWROFEIPNERXYTL-UHFFFAOYSA-N
TotalMolweight611.492
Molweight611.492
MonoisotopicMass610.139926
CLogP4.8391
CLogS-9.717
H Acceptors10
H Donors4
TotalSurfaceArea459.52
Relative PSA0.2567
PolarSurfaceArea131.7
Druglikeness2.4685
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-[(2E)-2-[(E)-4-[4-[(Z)-N-[(5-chloro-6-oxo-1H-pyridazin-4-yl)amino]-C-phenylcarbonimidoyl]phenyl]-1-phenylbut-2-enylidene]hydrazinyl]-1H-pyridazin-6-one


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