(E)-2-benzoyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enenitrile
Formula:C24H16N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-benzoyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-benzoyl-3-(2-phenyl-1H-indol-3-yl)prop-2-enenitrile |
| MolecularFormula | C24H16N2O |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C\c1c(-c2ccccc2)[nH]c2c1cccc2 |
| InChI | InChI=1S/C24H16N2O/c25-16-19(24(27)18-11-5-2-6-12-18)15-21-20-13-7-8-14-22(20)26-23(21)17-9-3-1-4-10-17/h1-15,26H |
| InChIK | PVXNBHAMIDEJIT-UHFFFAOYSA-N |
| TotalMolweight | 348.404 |
| Molweight | 348.404 |
| MonoisotopicMass | 348.126263 |
| CLogP | 4.9454 |
| CLogS | -6.415 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 281.12 |
| Relative PSA | 0.14439 |
| PolarSurfaceArea | 56.65 |
| Druglikeness | -2.7943 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.48148 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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