(E)-2-(1H-benzimidazol-2-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enenitrile
Formula:C26H17N4F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(1H-benzimidazol-2-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enenitrile is not a drug-like molecule.
| MolName | (E)-2-(1H-benzimidazol-2-yl)-3-[1-[[3-(trifluoromethyl)phenyl]methyl]indol-3-yl]prop-2-enenitrile |
| MolecularFormula | C26H17N4F3 |
| Smiles | N#C/C(/c1nc(cccc2)c2[nH]1)=C\c1cn(Cc2cccc(C(F)(F)F)c2)c2c1cccc2 |
| InChI | InChI=1S/C26H17F3N4/c27-26(28,29)20-7-5-6-17(12-20)15-33-16-19(21-8-1-4-11-24(21)33)13-18(14-30)25-31-22-9-2-3-10-23(22)32-25/h1-13,16H,15H2,(H,31,32) |
| InChIK | ZMHWWXPPQWYVGF-UHFFFAOYSA-N |
| TotalMolweight | 442.443 |
| Molweight | 442.443 |
| MonoisotopicMass | 442.14053 |
| CLogP | 5.1997 |
| CLogS | -4.88 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 329.15 |
| Relative PSA | 0.1379 |
| PolarSurfaceArea | 57.4 |
| Druglikeness | -9.0002 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48485 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 24 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| BasicNitrogens | 1 |
| StereoCon |
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