(5E)-5-hydroxyimino-2,3,5-triphenylpentanenitrile
Formula:C23H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(5E)-5-hydroxyimino-2,3,5-triphenylpentanenitrile is not a drug-like molecule.
| MolName | (5E)-5-hydroxyimino-2,3,5-triphenylpentanenitrile |
| MolecularFormula | C23H20N2O |
| Smiles | N#CC(C(C/C(/c1ccccc1)=N\O)c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C23H20N2O/c24-17-22(19-12-6-2-7-13-19)21(18-10-4-1-5-11-18)16-23(25-26)20-14-8-3-9-15-20/h1-15,21-22,26H,16H2 |
| InChIK | LENXMXZDEOPCNP-UHFFFAOYSA-N |
| TotalMolweight | 340.425 |
| Molweight | 340.425 |
| MonoisotopicMass | 340.157563 |
| CLogP | 5.591 |
| CLogS | -6.099 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 282.57 |
| Relative PSA | 0.13508 |
| PolarSurfaceArea | 56.38 |
| Druglikeness | -4.9025 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon | unknown chirality |
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