N-[(Z)-(4-phenoxyphenyl)methylideneamino]thiadiazole-4-carboxamide
Formula:C16H12N4O2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-phenoxyphenyl)methylideneamino]thiadiazole-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-phenoxyphenyl)methylideneamino]thiadiazole-4-carboxamide |
| MolecularFormula | C16H12N4O2S |
| Smiles | O=C(c1csnn1)N/N=C\c(cc1)ccc1Oc1ccccc1 |
| InChI | InChI=1S/C16H12N4O2S/c21-16(15-11-23-20-18-15)19-17-10-12-6-8-14(9-7-12)22-13-4-2-1-3-5-13/h1-11H,(H,19,21) |
| InChIK | KNVSHXMZFIMSRT-UHFFFAOYSA-N |
| TotalMolweight | 324.363 |
| Molweight | 324.363 |
| MonoisotopicMass | 324.068096 |
| CLogP | 3.582 |
| CLogS | -5.679 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 250.21 |
| Relative PSA | 0.35294 |
| PolarSurfaceArea | 104.71 |
| Druglikeness | 0.90207 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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