5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4,6-triamine
Formula:C11H12N8O2
Mutagenic:none
Tumorigenic:low
Reproductive Effective:none
5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4,6-triamine is a drug-like molecule.
| MolName | 5-[(Z)-[(4-nitrophenyl)hydrazinylidene]methyl]pyrimidine-2,4,6-triamine |
| MolecularFormula | C11H12N8O2 |
| Smiles | Nc1nc(N)nc(N)c1/C=N\Nc(cc1)ccc1[N+]([O-])=O |
| InChI | InChI=1S/C11H12N8O2/c12-9-8(10(13)17-11(14)16-9)5-15-18-6-1-3-7(4-2-6)19(20)21/h1-5,18H,(H6,12,13,14,16,17) |
| InChIK | IKBKKWGUOYULQS-UHFFFAOYSA-N |
| TotalMolweight | 288.27 |
| Molweight | 288.27 |
| MonoisotopicMass | 288.108322 |
| CLogP | 1.0557 |
| CLogS | -4.154 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 215.99 |
| Relative PSA | 0.56086 |
| PolarSurfaceArea | 174.05 |
| Druglikeness | -3.2058 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; 1,3-diamino-aryl; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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