(E)-3-hydroxy-3,5-diphenylpent-4-enenitrile
Formula:C17H15NO
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-hydroxy-3,5-diphenylpent-4-enenitrile is a drug-like molecule.
| MolName | (E)-3-hydroxy-3,5-diphenylpent-4-enenitrile |
| MolecularFormula | C17H15NO |
| Smiles | N#CCC(/C=C/c1ccccc1)(c1ccccc1)O |
| InChI | InChI=1S/C17H15NO/c18-14-13-17(19,16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-12,19H,13H2/t17-/m1/s1 |
| InChIK | JITBSHUHNGVQJC-QGZVFWFLSA-N |
| TotalMolweight | 249.312 |
| Molweight | 249.312 |
| MonoisotopicMass | 249.115364 |
| CLogP | 3.4085 |
| CLogS | -3.943 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 211.75 |
| Relative PSA | 0.1259 |
| PolarSurfaceArea | 44.02 |
| Druglikeness | -7.1171 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| StereoCon | racemate |
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