[(Z)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] thiophene-2-carboxylate
Formula:C14H10N4O2S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(Z)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] thiophene-2-carboxylate |
| MolecularFormula | C14H10N4O2S2 |
| Smiles | N/C(/c(cc1)ccc1-c1csnn1)=N\OC(c1cccs1)=O |
| InChI | InChI=1S/C14H10N4O2S2/c15-13(17-20-14(19)12-2-1-7-21-12)10-5-3-9(4-6-10)11-8-22-18-16-11/h1-8H,(H2,15,17) |
| InChIK | LLMBMOJJGQNLHG-UHFFFAOYSA-N |
| TotalMolweight | 330.391 |
| Molweight | 330.391 |
| MonoisotopicMass | 330.024516 |
| CLogP | 3.6197 |
| CLogS | -4.961 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 241.42 |
| Relative PSA | 0.46591 |
| PolarSurfaceArea | 146.94 |
| Druglikeness | -3.8241 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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