4-[(E)-2-(4-chlorophenyl)ethenyl]-5-cyano-1-(4-nitrophenyl)-6-oxopyridazine-3-carbohydrazide

Formula:C20H13N6O4Cl Mutagenic:none Tumorigenic:high Reproductive Effective:none 4-[(E)-2-(4-chlorophenyl)ethenyl]-5-cyano-1-(4-nitrophenyl)-6-oxopyridazine-3-carbohydrazide is a drug-like molecule.

MolName	4-[(E)-2-(4-chlorophenyl)ethenyl]-5-cyano-1-(4-nitrophenyl)-6-oxopyridazine-3-carbohydrazide
MolecularFormula	C20H13N6O4Cl
Smiles	NNC(C(C(/C=C/c(cc1)ccc1Cl)=C1C#N)=NN(c(cc2)ccc2[N+]([O-])=O)C1=O)=O
InChI	InChI=1S/C20H13ClN6O4/c21-13-4-1-12(2-5-13)3-10-16-17(11-22)20(29)26(25-18(16)19(28)24-23)14-6-8-15(9-7-14)27(30)31/h1-10H,23H2,(H,24,28)
InChIK	YZBZZEWGVATXBG-UHFFFAOYSA-N
TotalMolweight	436.814
Molweight	436.814
MonoisotopicMass	436.068681
CLogP	1.0284
CLogS	-5.045
H Acceptors	10
H Donors	2
TotalSurfaceArea	318.49
Relative PSA	0.35119
PolarSurfaceArea	157.4
Druglikeness	-10.492
Mutagenic	none
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	twice activated DB; aromatic nitro; hydrazine
Shape Index	0.54839
Fragments	1
Non HAtoms	31
NonCHAtoms	11
Electronegative Atoms	11
Rotatable Bond	5
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	2
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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