5-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one

Formula:C11H8N4OCl2 Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one is a drug-like molecule.

MolName5-chloro-4-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-1H-pyridazin-6-one
MolecularFormulaC11H8N4OCl2
SmilesO=C1NN=CC(N/N=C\c(cc2)ccc2Cl)=C1Cl
InChIInChI=1S/C11H8Cl2N4O/c12-8-3-1-7(2-4-8)5-14-16-9-6-15-17-11(18)10(9)13/h1-6H,(H2,16,17,18)
InChIKLZQZZFBPVLJNII-UHFFFAOYSA-N
TotalMolweight283.118
Molweight283.118
MonoisotopicMass282.007515
CLogP2.2388
CLogS-4.611
H Acceptors5
H Donors2
TotalSurfaceArea203.71
Relative PSA0.28953
PolarSurfaceArea65.85
Druglikeness3.7315
Mutagenichigh
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsimine/hydrazone of aldehyde; 2-halo-enone
Shape Index0.66667
Fragments1
Non HAtoms18
NonCHAtoms7
Electronegative Atoms7
Rotatable Bond3
Rings Closures2
Small Rings2
Aromatic Rings1
Aromatic Atoms6
Symmetricatoms2
StereoCon

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