3-[(Z)-(2-chloro-4-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
Formula:C16H10N5O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(Z)-(2-chloro-4-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one is a drug-like molecule.
| MolName | 3-[(Z)-(2-chloro-4-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one |
| MolecularFormula | C16H10N5O5ClS |
| Smiles | [O-][N+](c(cc1)ccc1/N=C(/N1/N=C\c(ccc([N+]([O-])=O)c2)c2Cl)\SCC1=O)=O |
| InChI | InChI=1S/C16H10ClN5O5S/c17-14-7-13(22(26)27)4-1-10(14)8-18-20-15(23)9-28-16(20)19-11-2-5-12(6-3-11)21(24)25/h1-8H,9H2 |
| InChIK | VERBHOQYAWLWLC-UHFFFAOYSA-N |
| TotalMolweight | 419.804 |
| Molweight | 419.804 |
| MonoisotopicMass | 419.009117 |
| CLogP | 1.4903 |
| CLogS | -5.788 |
| H Acceptors | 10 |
| TotalSurfaceArea | 289.31 |
| Relative PSA | 0.40766 |
| PolarSurfaceArea | 161.97 |
| Druglikeness | -0.86623 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 3-[(Z)-(2-chloro-4-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one | 2 - 3-[(Z)-(2-chloro-4-nitrophenyl)methylideneamino]-2-(4-nitrophenyl)imino-1,3-thiazolidin-4-one
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