2-[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]acetate
Formula:C10H7NO5Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[2-chloro-4-[(E)-2-nitroethenyl]phenoxy]acetate |
| MolecularFormula | C10H7NO5Cl |
| Smiles | [O-]C(COc(ccc(/C=C/[N+]([O-])=O)c1)c1Cl)=O |
| InChI | InChI=1S/C10H8ClNO5/c11-8-5-7(3-4-12(15)16)1-2-9(8)17-6-10(13)14/h1-5H,6H2,(H,13,14)/p-1 |
| InChIK | BRLSKRZYQZJIBM-UHFFFAOYSA-M |
| TotalMolweight | 256.621 |
| Molweight | 256.621 |
| MonoisotopicMass | 256.001276 |
| CLogP | -1.6402 |
| CLogS | -3.155 |
| H Acceptors | 6 |
| TotalSurfaceArea | 187.89 |
| Relative PSA | 0.36053 |
| PolarSurfaceArea | 95.18 |
| Druglikeness | -5.9711 |
| 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 | 4 |
| AcidicOxygens | 2 |
| StereoCon |
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