2-hydroxy-N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]benzamide
Formula:C19H14N6O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-hydroxy-N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]benzamide is a drug-like molecule.
| MolName | 2-hydroxy-N-[(Z)-[5-(1-phenyltetrazol-5-yl)sulfanylfuran-2-yl]methylideneamino]benzamide |
| MolecularFormula | C19H14N6O3S |
| Smiles | Oc(cccc1)c1C(N/N=C\c(o1)ccc1Sc1nnnn1-c1ccccc1)=O |
| InChI | InChI=1S/C19H14N6O3S/c26-16-9-5-4-8-15(16)18(27)21-20-12-14-10-11-17(28-14)29-19-22-23-24-25(19)13-6-2-1-3-7-13/h1-12,26H,(H,21,27) |
| InChIK | QGYBBNXTNCGNPG-UHFFFAOYSA-N |
| TotalMolweight | 406.425 |
| Molweight | 406.425 |
| MonoisotopicMass | 406.084809 |
| CLogP | 3.1038 |
| CLogS | -4.724 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 305.52 |
| Relative PSA | 0.39438 |
| PolarSurfaceArea | 143.73 |
| Druglikeness | 5.4993 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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