N-[(Z)-(3-bromophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C18H22N7Br
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(3-bromophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(3-bromophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H22N7Br |
| Smiles | Brc1cc(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)ccc1 |
| InChI | InChI=1S/C18H22BrN7/c19-15-7-5-6-14(12-15)13-20-24-16-21-17(25-8-1-2-9-25)23-18(22-16)26-10-3-4-11-26/h5-7,12-13H,1-4,8-11H2,(H,21,22,23,24) |
| InChIK | JHXBWJYZBUQMER-UHFFFAOYSA-N |
| TotalMolweight | 416.326 |
| Molweight | 416.326 |
| MonoisotopicMass | 415.112004 |
| CLogP | 5.9697 |
| CLogS | -5.613 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 287.83 |
| Relative PSA | 0.21881 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 2.4601 |
| 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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