1,2-dichloro-3-[(E)-2-nitroethenyl]benzene
Formula:C8H5NO2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1,2-dichloro-3-[(E)-2-nitroethenyl]benzene is a drug-like molecule.
| MolName | 1,2-dichloro-3-[(E)-2-nitroethenyl]benzene |
| MolecularFormula | C8H5NO2Cl2 |
| Smiles | [O-][N+](/C=C/c1cccc(Cl)c1Cl)=O |
| InChI | InChI=1S/C8H5Cl2NO2/c9-7-3-1-2-6(8(7)10)4-5-11(12)13/h1-5H |
| InChIK | QDRLNSJTMBNERI-UHFFFAOYSA-N |
| TotalMolweight | 218.039 |
| Molweight | 218.039 |
| MonoisotopicMass | 216.969733 |
| CLogP | 1.9818 |
| CLogS | -4.098 |
| H Acceptors | 3 |
| TotalSurfaceArea | 154.27 |
| Relative PSA | 0.19719 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -6.9013 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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