N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]phthalazin-1-amine
Formula:C21H15N4OCl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]phthalazin-1-amine is not a drug-like molecule.
| MolName | N-[(Z)-[3-(4-chlorophenoxy)phenyl]methylideneamino]phthalazin-1-amine |
| MolecularFormula | C21H15N4OCl |
| Smiles | Clc(cc1)ccc1Oc1cc(/C=N\Nc2nncc3ccccc23)ccc1 |
| InChI | InChI=1S/C21H15ClN4O/c22-17-8-10-18(11-9-17)27-19-6-3-4-15(12-19)13-23-25-21-20-7-2-1-5-16(20)14-24-26-21/h1-14H,(H,25,26) |
| InChIK | IVYKBGICSZIUKH-UHFFFAOYSA-N |
| TotalMolweight | 374.83 |
| Molweight | 374.83 |
| MonoisotopicMass | 374.093438 |
| CLogP | 6.5585 |
| CLogS | -7.067 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 286.54 |
| Relative PSA | 0.19163 |
| PolarSurfaceArea | 59.4 |
| Druglikeness | 2.0392 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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