[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] benzoate
Formula:C16H12N4O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] benzoate is a drug-like molecule.
| MolName | [(E)-[amino-[4-(thiadiazol-4-yl)phenyl]methylidene]amino] benzoate |
| MolecularFormula | C16H12N4O2S |
| Smiles | N/C(/c(cc1)ccc1-c1csnn1)=N/OC(c1ccccc1)=O |
| InChI | InChI=1S/C16H12N4O2S/c17-15(19-22-16(21)13-4-2-1-3-5-13)12-8-6-11(7-9-12)14-10-23-20-18-14/h1-10H,(H2,17,19) |
| InChIK | RVHHYZAPJVEQGY-UHFFFAOYSA-N |
| TotalMolweight | 324.363 |
| Molweight | 324.363 |
| MonoisotopicMass | 324.068096 |
| CLogP | 3.7531 |
| CLogS | -4.951 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 245.48 |
| Relative PSA | 0.37526 |
| PolarSurfaceArea | 118.7 |
| Druglikeness | -5.8669 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| 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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