[(E)-[amino(phenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate
Formula:C15H11N3O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(phenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino(phenyl)methylidene]amino] 1,3-benzothiazole-6-carboxylate |
| MolecularFormula | C15H11N3O2S |
| Smiles | N/C(/c1ccccc1)=N/OC(c(cc1)cc2c1ncs2)=O |
| InChI | InChI=1S/C15H11N3O2S/c16-14(10-4-2-1-3-5-10)18-20-15(19)11-6-7-12-13(8-11)21-9-17-12/h1-9H,(H2,16,18) |
| InChIK | BUTZZDLVAWAPRH-UHFFFAOYSA-N |
| TotalMolweight | 297.337 |
| Molweight | 297.337 |
| MonoisotopicMass | 297.057197 |
| CLogP | 3.0265 |
| CLogS | -3.763 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 221.56 |
| Relative PSA | 0.36627 |
| PolarSurfaceArea | 105.81 |
| Druglikeness | -2.0344 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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