2-[(E)-2-nitroethenyl]phenol
Formula:C8H7NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-nitroethenyl]phenol is a drug-like molecule.
| MolName | 2-[(E)-2-nitroethenyl]phenol |
| MolecularFormula | C8H7NO3 |
| Smiles | [O-][N+](/C=C/c(cccc1)c1O)=O |
| InChI | InChI=1S/C8H7NO3/c10-8-4-2-1-3-7(8)5-6-9(11)12/h1-6,10H |
| InChIK | PMDYAIGGZBRBFX-UHFFFAOYSA-N |
| TotalMolweight | 165.148 |
| Molweight | 165.148 |
| MonoisotopicMass | 165.042594 |
| CLogP | 0.4241 |
| CLogS | -2.33 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 129.78 |
| Relative PSA | 0.33534 |
| PolarSurfaceArea | 66.05 |
| Druglikeness | -6.9862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(E)-2-nitroethenyl]phenol | 2 - 2-[(E)-2-nitroethenyl]phenol
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