(E)-2-(4-chlorophenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile
Formula:C22H18N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(4-chlorophenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(4-chlorophenyl)sulfonyl-3-(2-morpholin-4-ylquinolin-3-yl)prop-2-enenitrile |
| MolecularFormula | C22H18N3O3ClS |
| Smiles | N#C/C(/S(c(cc1)ccc1Cl)(=O)=O)=C\c1cc2ccccc2nc1N1CCOCC1 |
| InChI | InChI=1S/C22H18ClN3O3S/c23-18-5-7-19(8-6-18)30(27,28)20(15-24)14-17-13-16-3-1-2-4-21(16)25-22(17)26-9-11-29-12-10-26/h1-8,13-14H,9-12H2 |
| InChIK | UUIKEAAVEGMEBH-UHFFFAOYSA-N |
| TotalMolweight | 439.922 |
| Molweight | 439.922 |
| MonoisotopicMass | 439.075739 |
| CLogP | 3.3519 |
| CLogS | -6.313 |
| H Acceptors | 6 |
| TotalSurfaceArea | 318.64 |
| Relative PSA | 0.2092 |
| PolarSurfaceArea | 91.67 |
| Druglikeness | -2.1444 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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