N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]benzamide
Formula:C19H14N6O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H14N6O2S |
| Smiles | O=C(c1ccccc1)N/N=C\c(o1)ccc1Sc1nnnn1-c1ccccc1 |
| InChI | InChI=1S/C19H14N6O2S/c26-18(14-7-3-1-4-8-14)21-20-13-16-11-12-17(27-16)28-19-22-23-24-25(19)15-9-5-2-6-10-15/h1-13H,(H,21,26) |
| InChIK | AZMBQYIAYAKBTQ-UHFFFAOYSA-N |
| TotalMolweight | 390.426 |
| Molweight | 390.426 |
| MonoisotopicMass | 390.089894 |
| CLogP | 3.4495 |
| CLogS | -5.02 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 299.17 |
| Relative PSA | 0.35896 |
| PolarSurfaceArea | 123.5 |
| Druglikeness | 5.5081 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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