N-[(Z)-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]aniline
Formula:C14H12N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]aniline is a drug-like molecule.
| MolName | N-[(Z)-[1-(1,3-thiazol-2-yl)pyrrol-2-yl]methylideneamino]aniline |
| MolecularFormula | C14H12N4S |
| Smiles | C(c1cccn1-c1nccs1)=N\Nc1ccccc1 |
| InChI | InChI=1S/C14H12N4S/c1-2-5-12(6-3-1)17-16-11-13-7-4-9-18(13)14-15-8-10-19-14/h1-11,17H |
| InChIK | ZDFFKDAYRJEAFG-UHFFFAOYSA-N |
| TotalMolweight | 268.343 |
| Molweight | 268.343 |
| MonoisotopicMass | 268.078266 |
| CLogP | 4.7562 |
| CLogS | -4.408 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.9 |
| Relative PSA | 0.28732 |
| PolarSurfaceArea | 70.45 |
| Druglikeness | 4.3325 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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