(2E)-2-(5-imino-3-oxo-4-phenyloxolan-2-ylidene)-2-phenylacetonitrile
Formula:C18H12N2O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2E)-2-(5-imino-3-oxo-4-phenyloxolan-2-ylidene)-2-phenylacetonitrile is a drug-like molecule.
| MolName | (2E)-2-(5-imino-3-oxo-4-phenyloxolan-2-ylidene)-2-phenylacetonitrile |
| MolecularFormula | C18H12N2O2 |
| Smiles | N=C(C(C1=O)c2ccccc2)O/C1=C(\c1ccccc1)/C#N |
| InChI | InChI=1S/C18H12N2O2/c19-11-14(12-7-3-1-4-8-12)17-16(21)15(18(20)22-17)13-9-5-2-6-10-13/h1-10,15,20H/t15-/m0/s1 |
| InChIK | LBMMJPRALNYRKB-HNNXBMFYSA-N |
| TotalMolweight | 288.305 |
| Molweight | 288.305 |
| MonoisotopicMass | 288.089878 |
| CLogP | 2.0668 |
| CLogS | -2.893 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 224.71 |
| Relative PSA | 0.2323 |
| PolarSurfaceArea | 73.94 |
| Druglikeness | -5.5035 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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