4-nitro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Formula:C16H10N4O4S2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 4-nitro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is a drug-like molecule.

MolName	4-nitro-N-[(5Z)-4-oxo-5-(pyridin-4-ylmethylidene)-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
MolecularFormula	C16H10N4O4S2
Smiles	[O-][N+](c(cc1)ccc1C(NN(C(/C(/S1)=C/c2ccncc2)=O)C1=S)=O)=O
InChI	InChI=1S/C16H10N4O4S2/c21-14(11-1-3-12(4-2-11)20(23)24)18-19-15(22)13(26-16(19)25)9-10-5-7-17-8-6-10/h1-9H,(H,18,21)
InChIK	VJDCUJAJQPUZSH-UHFFFAOYSA-N
TotalMolweight	386.411
Molweight	386.411
MonoisotopicMass	386.014346
CLogP	-0.4513
CLogS	-4.349
H Acceptors	8
H Donors	1
TotalSurfaceArea	274.12
Relative PSA	0.46684
PolarSurfaceArea	165.51
Druglikeness	-1.118
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	10
Electronegative Atoms	10
Rotatable Bond	4
Rings Closures	3
Small Rings	3
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	1
AcidicOxygens	1
StereoCon

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