5-nitro-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
Formula:C15H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-nitro-2-[(E)-2-phenylethenyl]-1,3-benzoxazole is a drug-like molecule.
| MolName | 5-nitro-2-[(E)-2-phenylethenyl]-1,3-benzoxazole |
| MolecularFormula | C15H10N2O3 |
| Smiles | [O-][N+](c(cc1)cc2c1oc(/C=C/c1ccccc1)n2)=O |
| InChI | InChI=1S/C15H10N2O3/c18-17(19)12-7-8-14-13(10-12)16-15(20-14)9-6-11-4-2-1-3-5-11/h1-10H |
| InChIK | LYHGJYFNRNZLFX-UHFFFAOYSA-N |
| TotalMolweight | 266.255 |
| Molweight | 266.255 |
| MonoisotopicMass | 266.069143 |
| CLogP | 2.8463 |
| CLogS | -4.341 |
| H Acceptors | 5 |
| TotalSurfaceArea | 206.24 |
| Relative PSA | 0.2691 |
| PolarSurfaceArea | 71.85 |
| Druglikeness | -5.6575 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 5-nitro-2-[(E)-2-phenylethenyl]-1,3-benzoxazole | 2 - 5-nitro-2-[(E)-2-phenylethenyl]-1,3-benzoxazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off