2-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C22H17N8O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C22H17N8O2Cl |
| Smiles | [O-][N+](c(cc(/C=N\Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)cc1)c1Cl)=O |
| InChI | InChI=1S/C22H17ClN8O2/c23-18-12-11-15(13-19(18)31(32)33)14-24-30-22-28-20(25-16-7-3-1-4-8-16)27-21(29-22)26-17-9-5-2-6-10-17/h1-14H,(H3,25,26,27,28,29,30) |
| InChIK | GQOMZENPDBVWBM-UHFFFAOYSA-N |
| TotalMolweight | 460.884 |
| Molweight | 460.884 |
| MonoisotopicMass | 460.116299 |
| CLogP | 6.4965 |
| CLogS | -7.687 |
| H Acceptors | 10 |
| H Donors | 3 |
| TotalSurfaceArea | 347.05 |
| Relative PSA | 0.31471 |
| PolarSurfaceArea | 132.94 |
| Druglikeness | -2.9201 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 1 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
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