(E)-2-(benzenesulfonyl)-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile
Formula:C19H12N2O2Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-[1-(3,5-dichlorophenyl)pyrrol-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H12N2O2Cl2S |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c1cccn1-c1cc(Cl)cc(Cl)c1 |
| InChI | InChI=1S/C19H12Cl2N2O2S/c20-14-9-15(21)11-17(10-14)23-8-4-5-16(23)12-19(13-22)26(24,25)18-6-2-1-3-7-18/h1-12H |
| InChIK | VMBCBFZHTYLYEC-UHFFFAOYSA-N |
| TotalMolweight | 403.288 |
| Molweight | 403.288 |
| MonoisotopicMass | 401.999652 |
| CLogP | 3.8604 |
| CLogS | -8.052 |
| H Acceptors | 4 |
| TotalSurfaceArea | 287.82 |
| Relative PSA | 0.17028 |
| PolarSurfaceArea | 71.24 |
| Druglikeness | -14.783 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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