(E)-2-benzoyl-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile
Formula:C25H17N2OF
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-benzoyl-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-benzoyl-3-[1-[(2-fluorophenyl)methyl]indol-3-yl]prop-2-enenitrile |
| MolecularFormula | C25H17N2OF |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C\c1cn(Cc(cccc2)c2F)c2c1cccc2 |
| InChI | InChI=1S/C25H17FN2O/c26-23-12-6-4-10-19(23)16-28-17-21(22-11-5-7-13-24(22)28)14-20(15-27)25(29)18-8-2-1-3-9-18/h1-14,17H,16H2 |
| InChIK | LERBKTTVHGLQBE-UHFFFAOYSA-N |
| TotalMolweight | 380.421 |
| Molweight | 380.421 |
| MonoisotopicMass | 380.132491 |
| CLogP | 4.7863 |
| CLogS | -5.404 |
| H Acceptors | 3 |
| TotalSurfaceArea | 300.86 |
| Relative PSA | 0.11125 |
| PolarSurfaceArea | 45.79 |
| Druglikeness | -2.9668 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51724 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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