5-amino-3-(4-chlorophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-oxothieno[3,4-d]pyridazine-1-carboxamide

Formula:C20H13N6O4ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-amino-3-(4-chlorophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-oxothieno[3,4-d]pyridazine-1-carboxamide is a drug-like molecule.

MolName	5-amino-3-(4-chlorophenyl)-N-[(Z)-(4-nitrophenyl)methylideneamino]-4-oxothieno[3,4-d]pyridazine-1-carboxamide
MolecularFormula	C20H13N6O4ClS
Smiles	Nc(scc1C(C(N/N=C\c(cc2)ccc2[N+]([O-])=O)=O)=NN2c(cc3)ccc3Cl)c1C2=O
InChI	InChI=1S/C20H13ClN6O4S/c21-12-3-7-13(8-4-12)26-20(29)16-15(10-32-18(16)22)17(25-26)19(28)24-23-9-11-1-5-14(6-2-11)27(30)31/h1-10H,22H2,(H,24,28)
InChIK	PIHHQNJJEIKTGP-UHFFFAOYSA-N
TotalMolweight	468.88
Molweight	468.88
MonoisotopicMass	468.040751
CLogP	3.1954
CLogS	-6.594
H Acceptors	10
H Donors	2
TotalSurfaceArea	327.82
Relative PSA	0.39705
PolarSurfaceArea	174.21
Druglikeness	2.2301
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.5625
Fragments	1
Non HAtoms	32
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	5
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Sp3Atoms	1
Symmetricatoms	4
AcidicOxygens	1
StereoCon

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