N-[(Z)-(4-chlorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine
Formula:C13H9N4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]thieno[2,3-d]pyrimidin-4-amine |
| MolecularFormula | C13H9N4ClS |
| Smiles | Clc1ccc(/C=N\Nc2ncnc3c2ccs3)cc1 |
| InChI | InChI=1S/C13H9ClN4S/c14-10-3-1-9(2-4-10)7-17-18-12-11-5-6-19-13(11)16-8-15-12/h1-8H,(H,15,16,18) |
| InChIK | ZEOKRGDNJLVBAA-UHFFFAOYSA-N |
| TotalMolweight | 288.761 |
| Molweight | 288.761 |
| MonoisotopicMass | 288.023643 |
| CLogP | 5.2705 |
| CLogS | -5.372 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 212.72 |
| Relative PSA | 0.30684 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 2.585 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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