N-[(Z)-furan-2-ylmethylideneamino]phthalazin-1-amine
Formula:C13H10N4O
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-furan-2-ylmethylideneamino]phthalazin-1-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]phthalazin-1-amine |
| MolecularFormula | C13H10N4O |
| Smiles | C(c1ccco1)=N\Nc1nncc2ccccc12 |
| InChI | InChI=1S/C13H10N4O/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 | GQXCZXMQCNFGSF-UHFFFAOYSA-N |
| TotalMolweight | 238.249 |
| Molweight | 238.249 |
| MonoisotopicMass | 238.085461 |
| CLogP | 3.7456 |
| CLogS | -3.716 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 191.05 |
| Relative PSA | 0.30892 |
| PolarSurfaceArea | 63.31 |
| Druglikeness | 1.8312 |
| 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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