(2Z)-2-spiro[[1,3]oxazolo[3,2-a]benzimidazole-2,1'-cyclohexane]-1-ylideneacetonitrile
Formula:C16H15N3O
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(2Z)-2-spiro[[1,3]oxazolo[3,2-a]benzimidazole-2,1'-cyclohexane]-1-ylideneacetonitrile is a drug-like molecule.
| MolName | (2Z)-2-spiro[[1,3]oxazolo[3,2-a]benzimidazole-2,1'-cyclohexane]-1-ylideneacetonitrile |
| MolecularFormula | C16H15N3O |
| Smiles | N#C/C=C(/C1(CCCCC1)O1)\n2c1nc1c2cccc1 |
| InChI | InChI=1S/C16H15N3O/c17-11-8-14-16(9-4-1-5-10-16)20-15-18-12-6-2-3-7-13(12)19(14)15/h2-3,6-8H,1,4-5,9-10H2 |
| InChIK | MKBLXMZDJGVPPR-UHFFFAOYSA-N |
| TotalMolweight | 265.315 |
| Molweight | 265.315 |
| MonoisotopicMass | 265.121512 |
| CLogP | 3.4999 |
| CLogS | -4.383 |
| H Acceptors | 4 |
| TotalSurfaceArea | 204.45 |
| Relative PSA | 0.20249 |
| PolarSurfaceArea | 50.84 |
| Druglikeness | -7.2455 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 9 |
| Sp3Atoms | 7 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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