3-[(Z)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]benzonitrile
Formula:C25H16N3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
3-[(Z)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]benzonitrile is not a drug-like molecule.
| MolName | 3-[(Z)-2-[1-[(4-chlorophenyl)methyl]indol-3-yl]-1-cyanoethenyl]benzonitrile |
| MolecularFormula | C25H16N3Cl |
| Smiles | N#C/C(/c1cc(C#N)ccc1)=C\c1cn(Cc(cc2)ccc2Cl)c2c1cccc2 |
| InChI | InChI=1S/C25H16ClN3/c26-23-10-8-18(9-11-23)16-29-17-22(24-6-1-2-7-25(24)29)13-21(15-28)20-5-3-4-19(12-20)14-27/h1-13,17H,16H2 |
| InChIK | ZUHRZVCTXABLOK-UHFFFAOYSA-N |
| TotalMolweight | 393.876 |
| Molweight | 393.876 |
| MonoisotopicMass | 393.103274 |
| CLogP | 5.3039 |
| CLogS | -6.116 |
| H Acceptors | 3 |
| TotalSurfaceArea | 313.89 |
| Relative PSA | 0.10829 |
| PolarSurfaceArea | 52.51 |
| Druglikeness | -2.3681 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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