1-[(E)-2-nitroethenyl]-3-phenoxybenzene
Formula:C14H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[(E)-2-nitroethenyl]-3-phenoxybenzene is a drug-like molecule.
| MolName | 1-[(E)-2-nitroethenyl]-3-phenoxybenzene |
| MolecularFormula | C14H11NO3 |
| Smiles | [O-][N+](/C=C/c1cc(Oc2ccccc2)ccc1)=O |
| InChI | InChI=1S/C14H11NO3/c16-15(17)10-9-12-5-4-8-14(11-12)18-13-6-2-1-3-7-13/h1-11H |
| InChIK | HCABRSGOYONOEJ-UHFFFAOYSA-N |
| TotalMolweight | 241.245 |
| Molweight | 241.245 |
| MonoisotopicMass | 241.073894 |
| CLogP | 2.1654 |
| CLogS | -4.923 |
| H Acceptors | 4 |
| TotalSurfaceArea | 193.19 |
| Relative PSA | 0.20922 |
| PolarSurfaceArea | 55.05 |
| Druglikeness | -6.9808 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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