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(5Z)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-3-[(Z)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula:C21H12N4O5Cl2S2 Mutagenic:none Tumorigenic:none Reproductive Effective:none (5Z)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-3-[(Z)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one is not a drug-like molecule.
MolName(5Z)-5-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]-3-[(Z)-[(Z)-2-chloro-3-(4-nitrophenyl)prop-2-enylidene]amino]-2-sulfanylidene-1,3-thiazolidin-4-one
MolecularFormulaC21H12N4O5Cl2S2
Smiles[O-][N+](c1ccc(/C=C(/C=C(/C(N2/N=C\C(\Cl)=C\c(cc3)ccc3[N+]([O-])=O)=O)\SC2=S)\Cl)cc1)=O
InChIInChI=1S/C21H12Cl2N4O5S2/c22-15(9-13-1-5-17(6-2-13)26(29)30)11-19-20(28)25(21(33)34-19)24-12-16(23)10-14-3-7-18(8-4-14)27(31)32/h1-12H
InChIKQTVRVYOIJCBWHF-UHFFFAOYSA-N
TotalMolweight535.387
Molweight535.387
MonoisotopicMass533.962615
CLogP2.8101
CLogS-8.001
H Acceptors9
TotalSurfaceArea374.84
Relative PSA0.35863
PolarSurfaceArea181.7
Druglikeness-0.1791
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionsallyl/benzyl chloride; aromatic nitro; imine/hydrazone of aldehyde
Shape Index0.64706
Fragments1
Non HAtoms34
NonCHAtoms13
Electronegative Atoms13
Rotatable Bond7
Rings Closures3
Small Rings3
Aromatic Rings2
Aromatic Atoms12
Sp3Atoms4
Symmetricatoms4
AcidicOxygens2
StereoCon

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