(E)-3-(2-nitrophenyl)prop-2-enoyl azide
Formula:C9H6N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2-nitrophenyl)prop-2-enoyl azide is a drug-like molecule.
| MolName | (E)-3-(2-nitrophenyl)prop-2-enoyl azide |
| MolecularFormula | C9H6N4O3 |
| Smiles | [N-]=[N+]=NC(/C=C/c(cccc1)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C9H6N4O3/c10-12-11-9(14)6-5-7-3-1-2-4-8(7)13(15)16/h1-6H |
| InChIK | JGLVSQUIQSNVJN-UHFFFAOYSA-N |
| TotalMolweight | 218.172 |
| Molweight | 218.172 |
| MonoisotopicMass | 218.043991 |
| CLogP | 0.7838 |
| CLogS | -2.79 |
| H Acceptors | 7 |
| TotalSurfaceArea | 171.82 |
| Relative PSA | 0.47055 |
| PolarSurfaceArea | 88.85 |
| Druglikeness | -8.7735 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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