N-[(Z)-(2,3-dichlorophenyl)methylideneamino]phthalazin-1-amine
Formula:C15H10N4Cl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,3-dichlorophenyl)methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,3-dichlorophenyl)methylideneamino]phthalazin-1-amine |
| MolecularFormula | C15H10N4Cl2 |
| Smiles | Clc(cccc1/C=N\Nc2nncc3ccccc23)c1Cl |
| InChI | InChI=1S/C15H10Cl2N4/c16-13-7-3-5-11(14(13)17)9-19-21-15-12-6-2-1-4-10(12)8-18-20-15/h1-9H,(H,20,21) |
| InChIK | MXPOPVTWWGUBOW-UHFFFAOYSA-N |
| TotalMolweight | 317.178 |
| Molweight | 317.178 |
| MonoisotopicMass | 316.02825 |
| CLogP | 5.7689 |
| CLogS | -5.506 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 232.2 |
| Relative PSA | 0.19341 |
| PolarSurfaceArea | 50.17 |
| Druglikeness | 2.3845 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]phthalazin-1-amine | 2 - N-[(Z)-(2,3-dichlorophenyl)methylideneamino]phthalazin-1-amine
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