3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]benzonitrile
Formula:C25H15N3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]benzonitrile is not a drug-like molecule.
| MolName | 3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]benzonitrile |
| MolecularFormula | C25H15N3Cl2 |
| Smiles | N#C/C(/c1cc(C#N)ccc1)=C\c1cn(Cc(ccc(Cl)c2)c2Cl)c2c1cccc2 |
| InChI | InChI=1S/C25H15Cl2N3/c26-22-9-8-19(24(27)12-22)15-30-16-21(23-6-1-2-7-25(23)30)11-20(14-29)18-5-3-4-17(10-18)13-28/h1-12,16H,15H2 |
| InChIK | OAXYCIDWYOUVMC-UHFFFAOYSA-N |
| TotalMolweight | 428.321 |
| Molweight | 428.321 |
| MonoisotopicMass | 427.064301 |
| CLogP | 5.9099 |
| CLogS | -6.852 |
| H Acceptors | 3 |
| TotalSurfaceArea | 329.31 |
| Relative PSA | 0.10322 |
| PolarSurfaceArea | 52.51 |
| Druglikeness | -2.3681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]benzonitrile | 2 - 3-[(Z)-1-cyano-2-[1-[(2,4-dichlorophenyl)methyl]indol-3-yl]ethenyl]benzonitrile
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