5-N-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine
Formula:C15H11N5Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-N-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine is a drug-like molecule.
| MolName | 5-N-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine |
| MolecularFormula | C15H11N5Cl2 |
| Smiles | Nc1nnc(-c2ccccc2)c(Nc(ccc(Cl)c2)c2Cl)n1 |
| InChI | InChI=1S/C15H11Cl2N5/c16-10-6-7-12(11(17)8-10)19-14-13(21-22-15(18)20-14)9-4-2-1-3-5-9/h1-8H,(H3,18,19,20,22) |
| InChIK | PTUPCHOSUTZWLS-UHFFFAOYSA-N |
| TotalMolweight | 332.193 |
| Molweight | 332.193 |
| MonoisotopicMass | 331.039149 |
| CLogP | 3.8037 |
| CLogS | -5.861 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 239.88 |
| Relative PSA | 0.24862 |
| PolarSurfaceArea | 76.72 |
| Druglikeness | -0.80766 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| StereoCon |
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1 - 5-N-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine | 2 - 5-N-(2,4-dichlorophenyl)-6-phenyl-1,2,4-triazine-3,5-diamine
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