2-cyclohexyl-5-nitro-1,3-benzoxazole
Formula:C13H14N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-cyclohexyl-5-nitro-1,3-benzoxazole is a drug-like molecule.
| MolName | 2-cyclohexyl-5-nitro-1,3-benzoxazole |
| MolecularFormula | C13H14N2O3 |
| Smiles | [O-][N+](c(cc1)cc2c1oc(C1CCCCC1)n2)=O |
| InChI | InChI=1S/C13H14N2O3/c16-15(17)10-6-7-12-11(8-10)14-13(18-12)9-4-2-1-3-5-9/h6-9H,1-5H2 |
| InChIK | DGLXHSCBBDDCLH-UHFFFAOYSA-N |
| TotalMolweight | 246.265 |
| Molweight | 246.265 |
| MonoisotopicMass | 246.100443 |
| CLogP | 2.7761 |
| CLogS | -3.972 |
| H Acceptors | 5 |
| TotalSurfaceArea | 187.78 |
| Relative PSA | 0.29556 |
| PolarSurfaceArea | 71.85 |
| Druglikeness | -9.9334 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-cyclohexyl-5-nitro-1,3-benzoxazole | 2 - 2-cyclohexyl-5-nitro-1,3-benzoxazole
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off