2-[(E)-2-azidoethenyl]-5-nitrofuran
Formula:C6H4N4O3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-azidoethenyl]-5-nitrofuran is a drug-like molecule.
| MolName | 2-[(E)-2-azidoethenyl]-5-nitrofuran |
| MolecularFormula | C6H4N4O3 |
| Smiles | [N-]=[N+]=N/C=C/c1ccc([N+]([O-])=O)o1 |
| InChI | InChI=1S/C6H4N4O3/c7-9-8-4-3-5-1-2-6(13-5)10(11)12/h1-4H |
| InChIK | UGOBSKKKCCICAU-UHFFFAOYSA-N |
| TotalMolweight | 180.123 |
| Molweight | 180.123 |
| MonoisotopicMass | 180.028341 |
| CLogP | 0.2249 |
| CLogS | -3.197 |
| H Acceptors | 7 |
| TotalSurfaceArea | 143.76 |
| Relative PSA | 0.56984 |
| PolarSurfaceArea | 84.92 |
| Druglikeness | -4.0646 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 5 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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