1-N,4-N-bis[(Z)-(3-iodophenyl)methylideneamino]phthalazine-1,4-diamine
Formula:C22H16N6I2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-N,4-N-bis[(Z)-(3-iodophenyl)methylideneamino]phthalazine-1,4-diamine is not a drug-like molecule.
| MolName | 1-N,4-N-bis[(Z)-(3-iodophenyl)methylideneamino]phthalazine-1,4-diamine |
| MolecularFormula | C22H16N6I2 |
| Smiles | Ic1cccc(/C=N\Nc(c2ccccc22)nnc2N/N=C\c2cccc(I)c2)c1 |
| InChI | InChI=1S/C22H16I2N6/c23-17-7-3-5-15(11-17)13-25-27-21-19-9-1-2-10-20(19)22(30-29-21)28-26-14-16-6-4-8-18(24)12-16/h1-14H,(H,27,29)(H,28,30) |
| InChIK | SBNJNEVRVKUPPP-UHFFFAOYSA-N |
| TotalMolweight | 618.211 |
| Molweight | 618.211 |
| MonoisotopicMass | 617.95259 |
| CLogP | 8.9638 |
| CLogS | -8.124 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 349.9 |
| Relative PSA | 0.194 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | 2.9496 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 15 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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