1-N,4-N-bis[(Z)-(4-bromophenyl)methylideneamino]phthalazine-1,4-diamine
Formula:C22H16N6Br2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-N,4-N-bis[(Z)-(4-bromophenyl)methylideneamino]phthalazine-1,4-diamine is not a drug-like molecule.
| MolName | 1-N,4-N-bis[(Z)-(4-bromophenyl)methylideneamino]phthalazine-1,4-diamine |
| MolecularFormula | C22H16N6Br2 |
| Smiles | Brc1ccc(/C=N\Nc(c2ccccc22)nnc2N/N=C\c(cc2)ccc2Br)cc1 |
| InChI | InChI=1S/C22H16Br2N6/c23-17-9-5-15(6-10-17)13-25-27-21-19-3-1-2-4-20(19)22(30-29-21)28-26-14-16-7-11-18(24)12-8-16/h1-14H,(H,27,29)(H,28,30) |
| InChIK | DRSZWCPCGXVRLK-UHFFFAOYSA-N |
| TotalMolweight | 524.219 |
| Molweight | 524.219 |
| MonoisotopicMass | 521.980316 |
| CLogP | 9.54 |
| CLogS | -7.76 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 334.6 |
| Relative PSA | 0.20287 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | 0.63254 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 17 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-N,4-N-bis[(Z)-(4-bromophenyl)methylideneamino]phthalazine-1,4-diamine | 2 - 1-N,4-N-bis[(Z)-(4-bromophenyl)methylideneamino]phthalazine-1,4-diamine
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