(Z)-2-(4-chlorophenyl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile
Formula:C23H20N3O2Cl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:low
(Z)-2-(4-chlorophenyl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-chlorophenyl)-3-[1-(2-morpholin-4-yl-2-oxoethyl)indol-3-yl]prop-2-enenitrile |
| MolecularFormula | C23H20N3O2Cl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c1cn(CC(N2CCOCC2)=O)c2c1cccc2 |
| InChI | InChI=1S/C23H20ClN3O2/c24-20-7-5-17(6-8-20)18(14-25)13-19-15-27(22-4-2-1-3-21(19)22)16-23(28)26-9-11-29-12-10-26/h1-8,13,15H,9-12,16H2 |
| InChIK | KEHDTQGHNMLZOZ-UHFFFAOYSA-N |
| TotalMolweight | 405.884 |
| Molweight | 405.884 |
| MonoisotopicMass | 405.124404 |
| CLogP | 3.2797 |
| CLogS | -3.73 |
| H Acceptors | 5 |
| TotalSurfaceArea | 312.01 |
| Relative PSA | 0.1507 |
| PolarSurfaceArea | 58.26 |
| Druglikeness | -0.94689 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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