1-[(E)-2-nitroethenyl]-4-phenylmethoxybenzene
Formula:C15H13NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-nitroethenyl]-4-phenylmethoxybenzene is a drug-like molecule.
| MolName | 1-[(E)-2-nitroethenyl]-4-phenylmethoxybenzene |
| MolecularFormula | C15H13NO3 |
| Smiles | [O-][N+](/C=C/c(cc1)ccc1OCc1ccccc1)=O |
| InChI | InChI=1S/C15H13NO3/c17-16(18)11-10-13-6-8-15(9-7-13)19-12-14-4-2-1-3-5-14/h1-11H,12H2 |
| InChIK | MSDHJAWQEZOXGV-UHFFFAOYSA-N |
| TotalMolweight | 255.272 |
| Molweight | 255.272 |
| MonoisotopicMass | 255.089544 |
| CLogP | 2.1179 |
| CLogS | -3.967 |
| H Acceptors | 4 |
| TotalSurfaceArea | 206.95 |
| Relative PSA | 0.19531 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -7.1421 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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