2-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
Formula:C26H19N8O3Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine is not a drug-like molecule.
| MolName | 2-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine |
| MolecularFormula | C26H19N8O3Cl |
| Smiles | [O-][N+](c(cc1)cc(-c2ccc(/C=N\Nc3nc(Nc4ccccc4)nc(Nc4ccccc4)n3)o2)c1Cl)=O |
| InChI | InChI=1S/C26H19ClN8O3/c27-22-13-11-19(35(36)37)15-21(22)23-14-12-20(38-23)16-28-34-26-32-24(29-17-7-3-1-4-8-17)31-25(33-26)30-18-9-5-2-6-10-18/h1-16H,(H3,29,30,31,32,33,34) |
| InChIK | JGSXDNJLMOPVGX-UHFFFAOYSA-N |
| TotalMolweight | 526.943 |
| Molweight | 526.943 |
| MonoisotopicMass | 526.126864 |
| CLogP | 7.4354 |
| CLogS | -9.147 |
| H Acceptors | 11 |
| H Donors | 3 |
| TotalSurfaceArea | 396.5 |
| Relative PSA | 0.31105 |
| PolarSurfaceArea | 146.08 |
| Druglikeness | -0.59029 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 38 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 9 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 29 |
| Sp3Atoms | 1 |
| Symmetricatoms | 11 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine | 2 - 2-N-[(Z)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]-4-N,6-N-diphenyl-1,3,5-triazine-2,4,6-triamine
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