N-[(Z)-furan-3-ylmethylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide
Formula:C14H12N6O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-3-ylmethylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide is a drug-like molecule.
| MolName | N-[(Z)-furan-3-ylmethylideneamino]-2-(1-phenyltetrazol-5-yl)sulfanylacetamide |
| MolecularFormula | C14H12N6O2S |
| Smiles | O=C(CSc1nnnn1-c1ccccc1)N/N=C\c1cocc1 |
| InChI | InChI=1S/C14H12N6O2S/c21-13(16-15-8-11-6-7-22-9-11)10-23-14-17-18-19-20(14)12-4-2-1-3-5-12/h1-9H,10H2,(H,16,21) |
| InChIK | ABRAWYAKMHKPHN-UHFFFAOYSA-N |
| TotalMolweight | 328.355 |
| Molweight | 328.355 |
| MonoisotopicMass | 328.074244 |
| CLogP | 1.6898 |
| CLogS | -3.989 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 253.17 |
| Relative PSA | 0.42418 |
| PolarSurfaceArea | 123.5 |
| Druglikeness | 3.5333 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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