2-[(E)-2-chloro-2-nitroethenyl]naphthalene
Formula:C12H8NO2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-chloro-2-nitroethenyl]naphthalene is a drug-like molecule.
| MolName | 2-[(E)-2-chloro-2-nitroethenyl]naphthalene |
| MolecularFormula | C12H8NO2Cl |
| Smiles | [O-][N+](/C(/Cl)=C\c1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C12H8ClNO2/c13-12(14(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9/h1-8H |
| InChIK | SLPAQKJHJMITCB-UHFFFAOYSA-N |
| TotalMolweight | 233.654 |
| Molweight | 233.654 |
| MonoisotopicMass | 233.024356 |
| CLogP | 3.0177 |
| CLogS | -4.989 |
| H Acceptors | 3 |
| TotalSurfaceArea | 171.66 |
| Relative PSA | 0.17721 |
| PolarSurfaceArea | 45.82 |
| Druglikeness | -6.6875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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