(NZ)-4-fluoro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
Formula:C18H11N4O3FS2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(NZ)-4-fluoro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-4-fluoro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide |
| MolecularFormula | C18H11N4O3FS2 |
| Smiles | O=C(c1c2cccc1)C(Sc1ncn[nH]1)=C/C2=N/S(c(cc1)ccc1F)(=O)=O |
| InChI | InChI=1S/C18H11FN4O3S2/c19-11-5-7-12(8-6-11)28(25,26)23-15-9-16(27-18-20-10-21-22-18)17(24)14-4-2-1-3-13(14)15/h1-10H,(H,20,21,22) |
| InChIK | JADSNXHISTZFIS-UHFFFAOYSA-N |
| TotalMolweight | 414.44 |
| Molweight | 414.44 |
| MonoisotopicMass | 414.025659 |
| CLogP | 2.6014 |
| CLogS | -4.969 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 284.22 |
| Relative PSA | 0.37489 |
| PolarSurfaceArea | 138.82 |
| Druglikeness | 0.65321 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-4-fluoro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide | 2 - (NZ)-4-fluoro-N-[4-oxo-3-(1H-1,2,4-triazol-5-ylsulfanyl)naphthalen-1-ylidene]benzenesulfonamide
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