2-chloro-N-[(5Z)-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

Formula:C26H16N5O4ClS2 Mutagenic:none Tumorigenic:none Reproductive Effective:high 2-chloro-N-[(5Z)-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide is not a drug-like molecule.

MolName	2-chloro-N-[(5Z)-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide
MolecularFormula	C26H16N5O4ClS2
Smiles	[O-][N+](c(cc1)ccc1-c(c(/C=C(/C(N1NC(c(cccc2)c2Cl)=O)=O)\SC1=S)c1)nn1-c1ccccc1)=O
InChI	InChI=1S/C26H16ClN5O4S2/c27-21-9-5-4-8-20(21)24(33)29-31-25(34)22(38-26(31)37)14-17-15-30(18-6-2-1-3-7-18)28-23(17)16-10-12-19(13-11-16)32(35)36/h1-15H,(H,29,33)
InChIK	ISIXDLGUHRPFEN-UHFFFAOYSA-N
TotalMolweight	562.029
Molweight	562.029
MonoisotopicMass	561.033222
CLogP	2.0746
CLogS	-7.393
H Acceptors	9
H Donors	1
TotalSurfaceArea	398.26
Relative PSA	0.33857
PolarSurfaceArea	170.44
Druglikeness	0.19516
Mutagenic	none
Tumorigenic	none
Reproductive Effective	high
Irritant	none
Nasty Functions	aromatic nitro
Shape Index	0.47368
Fragments	1
Non HAtoms	38
NonCHAtoms	12
Electronegative Atoms	12
Rotatable Bond	6
Rings Closures	5
Small Rings	5
Aromatic Rings	4
Aromatic Atoms	23
Sp3Atoms	3
Symmetricatoms	4
Aromatic Nitrogens	2
AcidicOxygens	1
StereoCon

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1 - 2-chloro-N-[(5Z)-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide | 2 - 2-chloro-N-[(5Z)-5-[[3-(4-nitrophenyl)-1-phenylpyrazol-4-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]benzamide

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