2-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C22H17N7Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C22H17N7Cl2 |
| Smiles | Clc(ccc(/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)c1)c1Cl |
| InChI | InChI=1S/C22H17Cl2N7/c23-18-12-11-15(13-19(18)24)14-25-31-22-29-20(26-16-7-3-1-4-8-16)28-21(30-22)27-17-9-5-2-6-10-17/h1-14H,(H3,26,27,28,29,30,31) |
| InChIK | UDJCLKVZSQHEML-UHFFFAOYSA-N |
| TotalMolweight | 450.332 |
| Molweight | 450.332 |
| MonoisotopicMass | 449.092247 |
| CLogP | 8.5353 |
| CLogS | -7.963 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 338.8 |
| Relative PSA | 0.23259 |
| PolarSurfaceArea | 87.12 |
| Druglikeness | 2.5311 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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1 - 2-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
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