(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
Formula:C25H17N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(1-benzylindol-3-yl)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide |
| MolecularFormula | C25H17N3OCl2 |
| Smiles | N#C/C(/C(Nc1cccc(Cl)c1Cl)=O)=C\c1cn(Cc2ccccc2)c2c1cccc2 |
| InChI | InChI=1S/C25H17Cl2N3O/c26-21-10-6-11-22(24(21)27)29-25(31)18(14-28)13-19-16-30(15-17-7-2-1-3-8-17)23-12-5-4-9-20(19)23/h1-13,16H,15H2,(H,29,31) |
| InChIK | SJDWRSSPBZIPGA-UHFFFAOYSA-N |
| TotalMolweight | 446.336 |
| Molweight | 446.336 |
| MonoisotopicMass | 445.074866 |
| CLogP | 5.73 |
| CLogS | -6.22 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 336.81 |
| Relative PSA | 0.1334 |
| PolarSurfaceArea | 57.82 |
| Druglikeness | -0.072261 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide | 2 - (E)-3-(1-benzylindol-3-yl)-2-cyano-N-(2,3-dichlorophenyl)prop-2-enamide
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