2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethanol
Formula:C19H17N3O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethanol is a drug-like molecule.
| MolName | 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethanol |
| MolecularFormula | C19H17N3O3 |
| Smiles | [O-][N+](c1cnc(/C=C/c(cc2)ccc2-c2ccccc2)n1CCO)=O |
| InChI | InChI=1S/C19H17N3O3/c23-13-12-21-18(20-14-19(21)22(24)25)11-8-15-6-9-17(10-7-15)16-4-2-1-3-5-16/h1-11,14,23H,12-13H2 |
| InChIK | NFSUYZBBXVVTCQ-UHFFFAOYSA-N |
| TotalMolweight | 335.362 |
| Molweight | 335.362 |
| MonoisotopicMass | 335.126992 |
| CLogP | 2.4674 |
| CLogS | -4.083 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 264.78 |
| Relative PSA | 0.23174 |
| PolarSurfaceArea | 83.87 |
| Druglikeness | -0.6506 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethanol | 2 - 2-[5-nitro-2-[(E)-2-(4-phenylphenyl)ethenyl]imidazol-1-yl]ethanol
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off