2-[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]acetamide
Formula:C10H9N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]acetamide is a drug-like molecule.
| MolName | 2-[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]acetamide |
| MolecularFormula | C10H9N2O4Cl |
| Smiles | NC(COc(ccc(/C=C/[N+]([O-])=O)c1)c1Cl)=O |
| InChI | InChI=1S/C10H9ClN2O4/c11-8-5-7(3-4-13(15)16)1-2-9(8)17-6-10(12)14/h1-5H,6H2,(H2,12,14) |
| InChIK | WFEGOTAUXDKLEE-UHFFFAOYSA-N |
| TotalMolweight | 256.644 |
| Molweight | 256.644 |
| MonoisotopicMass | 256.025085 |
| CLogP | 0.038 |
| CLogS | -3.231 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 188.88 |
| Relative PSA | 0.36388 |
| PolarSurfaceArea | 98.14 |
| Druglikeness | -5.3276 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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