N-[(Z)-(3-nitrophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine
Formula:C20H26N8O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-nitrophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(3-nitrophenyl)methylideneamino]-4,6-di(piperidin-1-yl)-1,3,5-triazin-2-amine |
| MolecularFormula | C20H26N8O2 |
| Smiles | [O-][N+](c1cc(/C=N\Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)ccc1)=O |
| InChI | InChI=1S/C20H26N8O2/c29-28(30)17-9-7-8-16(14-17)15-21-25-18-22-19(26-10-3-1-4-11-26)24-20(23-18)27-12-5-2-6-13-27/h7-9,14-15H,1-6,10-13H2,(H,22,23,24,25) |
| InChIK | SVNOKVLWBFXZIQ-UHFFFAOYSA-N |
| TotalMolweight | 410.48 |
| Molweight | 410.48 |
| MonoisotopicMass | 410.217872 |
| CLogP | 4.4957 |
| CLogS | -5.779 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 320.39 |
| Relative PSA | 0.29152 |
| PolarSurfaceArea | 115.36 |
| Druglikeness | -2.5018 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 10 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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