(1-phenyltetrazol-5-yl) (1Z)-N-anilino-2-oxo-2-phenylethanimidothioate
Formula:C21H16N6OS
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(1-phenyltetrazol-5-yl) (1Z)-N-anilino-2-oxo-2-phenylethanimidothioate is a drug-like molecule.
| MolName | (1-phenyltetrazol-5-yl) (1Z)-N-anilino-2-oxo-2-phenylethanimidothioate |
| MolecularFormula | C21H16N6OS |
| Smiles | O=C(/C(/Sc1nnnn1-c1ccccc1)=N/Nc1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H16N6OS/c28-19(16-10-4-1-5-11-16)20(23-22-17-12-6-2-7-13-17)29-21-24-25-26-27(21)18-14-8-3-9-15-18/h1-15,22H |
| InChIK | SVJGPVYWSQHLHX-UHFFFAOYSA-N |
| TotalMolweight | 400.465 |
| Molweight | 400.465 |
| MonoisotopicMass | 400.110629 |
| CLogP | 4.4524 |
| CLogS | -4.439 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 307.69 |
| Relative PSA | 0.30316 |
| PolarSurfaceArea | 110.36 |
| Druglikeness | 2.1665 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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