N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
Formula:C18H21N7Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine |
| MolecularFormula | C18H21N7Cl2 |
| Smiles | Clc1cc(Cl)c(/C=N\Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 |
| InChI | InChI=1S/C18H21Cl2N7/c19-14-6-5-13(15(20)11-14)12-21-25-16-22-17(26-7-1-2-8-26)24-18(23-16)27-9-3-4-10-27/h5-6,11-12H,1-4,7-10H2,(H,22,23,24,25) |
| InChIK | MMYJODYTHDNXIB-UHFFFAOYSA-N |
| TotalMolweight | 406.32 |
| Molweight | 406.32 |
| MonoisotopicMass | 405.123547 |
| CLogP | 6.4565 |
| CLogS | -6.251 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 300.04 |
| Relative PSA | 0.20991 |
| PolarSurfaceArea | 69.54 |
| Druglikeness | 4.2338 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-4,6-dipyrrolidin-1-yl-1,3,5-triazin-2-amine
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