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

Formula:C20H14N5O2ClS Mutagenic:high Tumorigenic:none Reproductive Effective:none 5-amino-N-[(Z)-benzylideneamino]-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide is a drug-like molecule.

MolName	5-amino-N-[(Z)-benzylideneamino]-3-(4-chlorophenyl)-4-oxothieno[3,4-d]pyridazine-1-carboxamide
MolecularFormula	C20H14N5O2ClS
Smiles	Nc(scc1C(C(N/N=C\c2ccccc2)=O)=NN2c(cc3)ccc3Cl)c1C2=O
InChI	InChI=1S/C20H14ClN5O2S/c21-13-6-8-14(9-7-13)26-20(28)16-15(11-29-18(16)22)17(25-26)19(27)24-23-10-12-4-2-1-3-5-12/h1-11H,22H2,(H,24,27)
InChIK	JRMLDVYNXVHMFG-UHFFFAOYSA-N
TotalMolweight	423.883
Molweight	423.883
MonoisotopicMass	423.055672
CLogP	4.117
CLogS	-6.134
H Acceptors	7
H Donors	2
TotalSurfaceArea	304.15
Relative PSA	0.32793
PolarSurfaceArea	128.39
Druglikeness	7.3049
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Nasty Functions	acyl-hydrazone; imine/hydrazone of aldehyde
Shape Index	0.55172
Fragments	1
Non HAtoms	29
NonCHAtoms	9
Electronegative Atoms	9
Rotatable Bond	4
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	17
Symmetricatoms	4
StereoCon

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