[(E)-[amino-(5-nitrothiophen-2-yl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate
Formula:C11H6N4O4Cl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(5-nitrothiophen-2-yl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate is a drug-like molecule.
| MolName | [(E)-[amino-(5-nitrothiophen-2-yl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate |
| MolecularFormula | C11H6N4O4Cl2S |
| Smiles | N/C(/c1ccc([N+]([O-])=O)s1)=N/OC(c1cc(Cl)nc(Cl)c1)=O |
| InChI | InChI=1S/C11H6Cl2N4O4S/c12-7-3-5(4-8(13)15-7)11(18)21-16-10(14)6-1-2-9(22-6)17(19)20/h1-4H,(H2,14,16) |
| InChIK | SNSZGDIPTYBZHI-UHFFFAOYSA-N |
| TotalMolweight | 361.165 |
| Molweight | 361.165 |
| MonoisotopicMass | 359.94868 |
| CLogP | 2.6126 |
| CLogS | -4.359 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 241.47 |
| Relative PSA | 0.46204 |
| PolarSurfaceArea | 151.63 |
| Druglikeness | -5.8781 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(E)-[amino-(5-nitrothiophen-2-yl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate | 2 - [(E)-[amino-(5-nitrothiophen-2-yl)methylidene]amino] 2,6-dichloropyridine-4-carboxylate
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