(5Z)-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione

Formula:C24H16N2O5S Mutagenic:high Tumorigenic:high Reproductive Effective:none (5Z)-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione is a drug-like molecule.

MolName	(5Z)-5-[[2-[(4-nitrophenyl)methoxy]naphthalen-1-yl]methylidene]-3-prop-2-ynyl-1,3-thiazolidine-2,4-dione
MolecularFormula	C24H16N2O5S
Smiles	C#CCN(C(/C(/S1)=C/c(c2ccccc2cc2)c2OCc(cc2)ccc2[N+]([O-])=O)=O)C1=O
InChI	InChI=1S/C24H16N2O5S/c1-2-13-25-23(27)22(32-24(25)28)14-20-19-6-4-3-5-17(19)9-12-21(20)31-15-16-7-10-18(11-8-16)26(29)30/h1,3-12,14H,13,15H2
InChIK	XRQCMMABCXUOSA-UHFFFAOYSA-N
TotalMolweight	444.466
Molweight	444.466
MonoisotopicMass	444.077993
CLogP	3.3904
CLogS	-6.818
H Acceptors	7
TotalSurfaceArea	327.12
Relative PSA	0.26761
PolarSurfaceArea	117.73
Druglikeness	-0.86
Mutagenic	high
Tumorigenic	high
Reproductive Effective	none
Irritant	none
Nasty Functions	aromatic nitro; limit! methylene-thiazolidine-2,4-dione
Shape Index	0.53125
Fragments	1
Non HAtoms	32
NonCHAtoms	8
Electronegative Atoms	8
Rotatable Bond	6
Rings Closures	4
Small Rings	4
Aromatic Rings	3
Aromatic Atoms	16
Sp3Atoms	5
Symmetricatoms	2
Amides	1
AcidicOxygens	1
StereoCon

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