4-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]pyrrol-1-yl]benzenesulfonamide
Formula:C12H12N8O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]pyrrol-1-yl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[2-[(Z)-(5-aminotetrazol-1-yl)iminomethyl]pyrrol-1-yl]benzenesulfonamide |
| MolecularFormula | C12H12N8O2S |
| Smiles | Nc1nnnn1/N=C\c1cccn1-c(cc1)ccc1S(N)(=O)=O |
| InChI | InChI=1S/C12H12N8O2S/c13-12-16-17-18-20(12)15-8-10-2-1-7-19(10)9-3-5-11(6-4-9)23(14,21)22/h1-8H,(H2,13,16,18)(H2,14,21,22) |
| InChIK | XEIAPVOXACMLNN-UHFFFAOYSA-N |
| TotalMolweight | 332.347 |
| Molweight | 332.347 |
| MonoisotopicMass | 332.080392 |
| CLogP | 0.2294 |
| CLogS | -6.023 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 237.84 |
| Relative PSA | 0.4931 |
| PolarSurfaceArea | 155.45 |
| Druglikeness | 3.8674 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 3 |
| Amides | 1 |
| Aromatic Nitrogens | 5 |
| StereoCon |
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