(E)-2-benzoyl-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile
Formula:C30H20N2O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-benzoyl-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-benzoyl-3-(1,2-diphenylindol-3-yl)prop-2-enenitrile |
| MolecularFormula | C30H20N2O |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C\c(c1c2cccc1)c(-c1ccccc1)n2-c1ccccc1 |
| InChI | InChI=1S/C30H20N2O/c31-21-24(30(33)23-14-6-2-7-15-23)20-27-26-18-10-11-19-28(26)32(25-16-8-3-9-17-25)29(27)22-12-4-1-5-13-22/h1-20H |
| InChIK | YVMPLSRPVJZDSF-UHFFFAOYSA-N |
| TotalMolweight | 424.502 |
| Molweight | 424.502 |
| MonoisotopicMass | 424.157563 |
| CLogP | 6.4078 |
| CLogS | -9.704 |
| H Acceptors | 3 |
| TotalSurfaceArea | 340.51 |
| Relative PSA | 0.098294 |
| PolarSurfaceArea | 45.79 |
| Druglikeness | -2.2368 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.42424 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 27 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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