3-(benzenesulfonylmethyl)-5-phenyl-1,2,4-triazine
Formula:C16H13N3O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(benzenesulfonylmethyl)-5-phenyl-1,2,4-triazine is a drug-like molecule.
| MolName | 3-(benzenesulfonylmethyl)-5-phenyl-1,2,4-triazine |
| MolecularFormula | C16H13N3O2S |
| Smiles | O=S(Cc1nncc(-c2ccccc2)n1)(c1ccccc1)=O |
| InChI | InChI=1S/C16H13N3O2S/c20-22(21,14-9-5-2-6-10-14)12-16-18-15(11-17-19-16)13-7-3-1-4-8-13/h1-11H,12H2 |
| InChIK | VDYUCRIOSBJDNW-UHFFFAOYSA-N |
| TotalMolweight | 311.364 |
| Molweight | 311.364 |
| MonoisotopicMass | 311.072847 |
| CLogP | 1.3934 |
| CLogS | -3.221 |
| H Acceptors | 5 |
| TotalSurfaceArea | 231.4 |
| Relative PSA | 0.26573 |
| PolarSurfaceArea | 81.19 |
| Druglikeness | -14.07 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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