N-[(E)-[phenyl(thiadiazol-5-yl)methylidene]amino]aniline
Formula:C15H12N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(E)-[phenyl(thiadiazol-5-yl)methylidene]amino]aniline is not a drug-like molecule.
| MolName | N-[(E)-[phenyl(thiadiazol-5-yl)methylidene]amino]aniline |
| MolecularFormula | C15H12N4S |
| Smiles | c1c(/C(/c2ccccc2)=N/Nc2ccccc2)snn1 |
| InChI | InChI=1S/C15H12N4S/c1-3-7-12(8-4-1)15(14-11-16-19-20-14)18-17-13-9-5-2-6-10-13/h1-11,17H |
| InChIK | HMFMFQCKMVDZOO-UHFFFAOYSA-N |
| TotalMolweight | 280.354 |
| Molweight | 280.354 |
| MonoisotopicMass | 280.078266 |
| CLogP | 5.0506 |
| CLogS | -4.672 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 220.67 |
| Relative PSA | 0.29578 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -2.4025 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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