[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] benzoate
Formula:C21H15N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [3-[(Z)-(1,3-benzothiazol-2-ylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C21H15N3O2S |
| Smiles | O=C(c1ccccc1)Oc1cccc(/C=N\Nc2nc(cccc3)c3s2)c1 |
| InChI | InChI=1S/C21H15N3O2S/c25-20(16-8-2-1-3-9-16)26-17-10-6-7-15(13-17)14-22-24-21-23-18-11-4-5-12-19(18)27-21/h1-14H,(H,23,24) |
| InChIK | VTDMHBLVQXZPDB-UHFFFAOYSA-N |
| TotalMolweight | 373.435 |
| Molweight | 373.435 |
| MonoisotopicMass | 373.088497 |
| CLogP | 7.0738 |
| CLogS | -5.586 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.05 |
| Relative PSA | 0.27037 |
| PolarSurfaceArea | 91.82 |
| Druglikeness | 2.1805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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