1-N,4-N-bis[(Z)-cyclohexylmethylideneamino]phthalazine-1,4-diamine
Formula:C22H30N6
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
1-N,4-N-bis[(Z)-cyclohexylmethylideneamino]phthalazine-1,4-diamine is not a drug-like molecule.
| MolName | 1-N,4-N-bis[(Z)-cyclohexylmethylideneamino]phthalazine-1,4-diamine |
| MolecularFormula | C22H30N6 |
| Smiles | C(CC1)CCC1/C=N\Nc(c1ccccc11)nnc1N/N=C\C1CCCCC1 |
| InChI | InChI=1S/C22H30N6/c1-3-9-17(10-4-1)15-23-25-21-19-13-7-8-14-20(19)22(28-27-21)26-24-16-18-11-5-2-6-12-18/h7-8,13-18H,1-6,9-12H2,(H,25,27)(H,26,28) |
| InChIK | DEIUFPGNYMZUAV-UHFFFAOYSA-N |
| TotalMolweight | 378.522 |
| Molweight | 378.522 |
| MonoisotopicMass | 378.253194 |
| CLogP | 7.2684 |
| CLogS | -6.248 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 313.42 |
| Relative PSA | 0.21658 |
| PolarSurfaceArea | 74.56 |
| Druglikeness | -2.539 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 12 |
| Symmetricatoms | 16 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 1-N,4-N-bis[(Z)-cyclohexylmethylideneamino]phthalazine-1,4-diamine | 2 - 1-N,4-N-bis[(Z)-cyclohexylmethylideneamino]phthalazine-1,4-diamine
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