N-[(Z)-thiophen-2-ylmethylideneamino]phthalazin-1-amine
Formula:C13H10N4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-thiophen-2-ylmethylideneamino]phthalazin-1-amine is a drug-like molecule.
| MolName | N-[(Z)-thiophen-2-ylmethylideneamino]phthalazin-1-amine |
| MolecularFormula | C13H10N4S |
| Smiles | C(c1cccs1)=N\Nc1nncc2ccccc12 |
| InChI | InChI=1S/C13H10N4S/c1-2-6-12-10(4-1)8-14-16-13(12)17-15-9-11-5-3-7-18-11/h1-9H,(H,16,17) |
| InChIK | BDFJBHNGCDQMBV-UHFFFAOYSA-N |
| TotalMolweight | 254.316 |
| Molweight | 254.316 |
| MonoisotopicMass | 254.062616 |
| CLogP | 4.4235 |
| CLogS | -4.044 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 197.3 |
| Relative PSA | 0.33082 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | 4.1048 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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