[2-[(E)-2-nitroethenyl]phenyl] furan-2-carboxylate
Formula:C13H9NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[2-[(E)-2-nitroethenyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [2-[(E)-2-nitroethenyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C13H9NO5 |
| Smiles | [O-][N+](/C=C/c(cccc1)c1OC(c1ccco1)=O)=O |
| InChI | InChI=1S/C13H9NO5/c15-13(12-6-3-9-18-12)19-11-5-2-1-4-10(11)7-8-14(16)17/h1-9H |
| InChIK | MUSTURDUTDSFBU-UHFFFAOYSA-N |
| TotalMolweight | 259.216 |
| Molweight | 259.216 |
| MonoisotopicMass | 259.048074 |
| CLogP | 1.389 |
| CLogS | -3.778 |
| H Acceptors | 6 |
| TotalSurfaceArea | 200.63 |
| Relative PSA | 0.33679 |
| PolarSurfaceArea | 85.26 |
| Druglikeness | -5.6872 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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