5-[(2Z)-2-hydroxyiminoethyl]-3-phenyl-1,2-oxazole-4-carbonitrile
Formula:C12H9N3O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(2Z)-2-hydroxyiminoethyl]-3-phenyl-1,2-oxazole-4-carbonitrile is a drug-like molecule.
| MolName | 5-[(2Z)-2-hydroxyiminoethyl]-3-phenyl-1,2-oxazole-4-carbonitrile |
| MolecularFormula | C12H9N3O2 |
| Smiles | N#Cc1c(C/C=N\O)onc1-c1ccccc1 |
| InChI | InChI=1S/C12H9N3O2/c13-8-10-11(6-7-14-16)17-15-12(10)9-4-2-1-3-5-9/h1-5,7,16H,6H2 |
| InChIK | SQVBDJBZCFCNMS-UHFFFAOYSA-N |
| TotalMolweight | 227.222 |
| Molweight | 227.222 |
| MonoisotopicMass | 227.069477 |
| CLogP | 1.9516 |
| CLogS | -3.874 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 188.05 |
| Relative PSA | 0.33635 |
| PolarSurfaceArea | 82.41 |
| Druglikeness | -2.9367 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 5-[(2Z)-2-hydroxyiminoethyl]-3-phenyl-1,2-oxazole-4-carbonitrile | 2 - 5-[(2Z)-2-hydroxyiminoethyl]-3-phenyl-1,2-oxazole-4-carbonitrile
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