N-[(E)-(3-naphthalen-1-yl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-4-nitrobenzamide

Formula:C20H14N4O4S Mutagenic:high Tumorigenic:high Reproductive Effective:none N-[(E)-(3-naphthalen-1-yl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-4-nitrobenzamide is a drug-like molecule.

MolName	N-[(E)-(3-naphthalen-1-yl-4-oxo-1,3-thiazolidin-2-ylidene)amino]-4-nitrobenzamide
MolecularFormula	C20H14N4O4S
Smiles	[O-][N+](c(cc1)ccc1C(N/N=C(\N1c2cccc3ccccc23)/SCC1=O)=O)=O
InChI	InChI=1S/C20H14N4O4S/c25-18-12-29-20(22-21-19(26)14-8-10-15(11-9-14)24(27)28)23(18)17-7-3-5-13-4-1-2-6-16(13)17/h1-11H,12H2,(H,21,26)
InChIK	MFOQSJKELLFQHY-UHFFFAOYSA-N
TotalMolweight	406.421
Molweight	406.421
MonoisotopicMass	406.073576
CLogP	3.0056
CLogS	-6.649
H Acceptors	8
H Donors	1
TotalSurfaceArea	289.27
Relative PSA	0.34746
PolarSurfaceArea	132.89
Druglikeness	-0.51915
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; acyl-hydrazone
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	16
Sp3Atoms	3
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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