N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazin-1-amine
Formula:C15H11N5O2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazin-1-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]phthalazin-1-amine |
| MolecularFormula | C15H11N5O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nncc3ccccc23)cc1)=O |
| InChI | InChI=1S/C15H11N5O2/c21-20(22)13-7-5-11(6-8-13)9-16-18-15-14-4-2-1-3-12(14)10-17-19-15/h1-10H,(H,18,19) |
| InChIK | VYQJRMVIKAMBEX-UHFFFAOYSA-N |
| TotalMolweight | 293.285 |
| Molweight | 293.285 |
| MonoisotopicMass | 293.091275 |
| CLogP | 3.6353 |
| CLogS | -4.494 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 225.03 |
| Relative PSA | 0.33476 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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