2-[(E)-2-(4-nitrophenyl)ethenyl]phenol
Formula:C14H11NO3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(4-nitrophenyl)ethenyl]phenol is a drug-like molecule.
| MolName | 2-[(E)-2-(4-nitrophenyl)ethenyl]phenol |
| MolecularFormula | C14H11NO3 |
| Smiles | [O-][N+](c1ccc(/C=C/c(cccc2)c2O)cc1)=O |
| InChI | InChI=1S/C14H11NO3/c16-14-4-2-1-3-12(14)8-5-11-6-9-13(10-7-11)15(17)18/h1-10,16H/b8-5+ |
| InChIK | WYCLPRAZRCOITO-VMPITWQZSA-N |
| TotalMolweight | 241.245 |
| Molweight | 241.245 |
| MonoisotopicMass | 241.073894 |
| CLogP | 2.5993 |
| CLogS | -3.916 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 189.54 |
| Relative PSA | 0.22961 |
| PolarSurfaceArea | 66.05 |
| Druglikeness | -6.8542 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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