N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C18H22N7Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H22N7Cl |
| Smiles | Clc1c(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cccc1 |
| InChI | InChI=1S/C18H22ClN7/c19-15-8-2-1-7-14(15)13-20-24-16-21-17(25-9-3-4-10-25)23-18(22-16)26-11-5-6-12-26/h1-2,7-8,13H,3-6,9-12H2,(H,21,22,23,24) |
| InChIK | KDOVRRILEUFTJI-UHFFFAOYSA-N |
| TotalMolweight | 371.875 |
| Molweight | 371.875 |
| MonoisotopicMass | 371.16252 |
| CLogP | 5.8505 |
| CLogS | -5.515 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 284.62 |
| Relative PSA | 0.22128 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 4.2338 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 8 |
| Symmetricatoms | 9 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
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