3-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]pyridin-2-amine
Formula:C10H7N5O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]pyridin-2-amine is a drug-like molecule.
| MolName | 3-nitro-N-[(Z)-(5-nitrothiophen-2-yl)methylideneamino]pyridin-2-amine |
| MolecularFormula | C10H7N5O4S |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2ncccc2[N+]([O-])=O)s1)=O |
| InChI | InChI=1S/C10H7N5O4S/c16-14(17)8-2-1-5-11-10(8)13-12-6-7-3-4-9(20-7)15(18)19/h1-6H,(H,11,13) |
| InChIK | RBKXDJDGJCGHKJ-UHFFFAOYSA-N |
| TotalMolweight | 293.263 |
| Molweight | 293.263 |
| MonoisotopicMass | 293.021875 |
| CLogP | 2.4044 |
| CLogS | -3.959 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 211.28 |
| Relative PSA | 0.54496 |
| PolarSurfaceArea | 157.16 |
| Druglikeness | -1.633 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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