(6Z)-3-(2-chlorophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
Formula:C17H9N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(6Z)-3-(2-chlorophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one is a drug-like molecule.
| MolName | (6Z)-3-(2-chlorophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one |
| MolecularFormula | C17H9N4O3ClS |
| Smiles | [O-][N+](c1ccc(/C=C2\Sc3nnc(-c(cccc4)c4Cl)n3C2=O)cc1)=O |
| InChI | InChI=1S/C17H9ClN4O3S/c18-13-4-2-1-3-12(13)15-19-20-17-21(15)16(23)14(26-17)9-10-5-7-11(8-6-10)22(24)25/h1-9H |
| InChIK | HIKVWPFTHYPCDP-UHFFFAOYSA-N |
| TotalMolweight | 384.802 |
| Molweight | 384.802 |
| MonoisotopicMass | 384.008388 |
| CLogP | 3.0039 |
| CLogS | -6.215 |
| H Acceptors | 7 |
| TotalSurfaceArea | 265.04 |
| Relative PSA | 0.33867 |
| PolarSurfaceArea | 118.9 |
| Druglikeness | -0.82722 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (6Z)-3-(2-chlorophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one | 2 - (6Z)-3-(2-chlorophenyl)-6-[(4-nitrophenyl)methylidene]-[1,3]thiazolo[2,3-c][1,2,4]triazol-5-one
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