[(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate
Formula:C15H9N3O2Cl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate |
| MolecularFormula | C15H9N3O2Cl2S |
| Smiles | N/C(/c(ccc(Cl)c1)c1Cl)=N/OC(c(cc1)cc2c1ncs2)=O |
| InChI | InChI=1S/C15H9Cl2N3O2S/c16-9-2-3-10(11(17)6-9)14(18)20-22-15(21)8-1-4-12-13(5-8)23-7-19-12/h1-7H,(H2,18,20) |
| InChIK | WOLCAJVNDVWFDZ-UHFFFAOYSA-N |
| TotalMolweight | 366.227 |
| Molweight | 366.227 |
| MonoisotopicMass | 364.979251 |
| CLogP | 4.2385 |
| CLogS | -5.235 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.4 |
| Relative PSA | 0.32151 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | -1.9495 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate | 2 - [(E)-[amino-(2,4-dichlorophenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate
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