N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C18H22N7Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H22N7Cl |
| Smiles | Clc1ccc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 |
| InChI | InChI=1S/C18H22ClN7/c19-15-7-5-14(6-8-15)13-20-24-16-21-17(25-9-1-2-10-25)23-18(22-16)26-11-3-4-12-26/h5-8,13H,1-4,9-12H2,(H,21,22,23,24) |
| InChIK | ROAGBNJOVGZWBP-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 | 0.53846 |
| 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 | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off