2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one
Formula:C15H10N3OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one |
| MolecularFormula | C15H10N3OClS |
| Smiles | O=C1SC(N/N=C\c(cc2)ccc2Cl)=Nc2c1cccc2 |
| InChI | InChI=1S/C15H10ClN3OS/c16-11-7-5-10(6-8-11)9-17-19-15-18-13-4-2-1-3-12(13)14(20)21-15/h1-9H,(H,18,19) |
| InChIK | ZUNRKENMTIFREK-UHFFFAOYSA-N |
| TotalMolweight | 315.783 |
| Molweight | 315.783 |
| MonoisotopicMass | 315.023309 |
| CLogP | 4.5607 |
| CLogS | -6.036 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 229.37 |
| Relative PSA | 0.28343 |
| PolarSurfaceArea | 79.12 |
| Druglikeness | 3.1245 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one | 2 - 2-[(2Z)-2-[(4-chlorophenyl)methylidene]hydrazinyl]-3,1-benzothiazin-4-one
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