(E)-2-(benzenesulfonyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile
Formula:C19H13N2O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-[1-(4-chlorophenyl)pyrrol-2-yl]prop-2-enenitrile |
| MolecularFormula | C19H13N2O2ClS |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c1cccn1-c(cc1)ccc1Cl |
| InChI | InChI=1S/C19H13ClN2O2S/c20-15-8-10-16(11-9-15)22-12-4-5-17(22)13-19(14-21)25(23,24)18-6-2-1-3-7-18/h1-13H |
| InChIK | KMXVILNOCVMZQR-UHFFFAOYSA-N |
| TotalMolweight | 368.843 |
| Molweight | 368.843 |
| MonoisotopicMass | 368.038625 |
| CLogP | 3.2544 |
| CLogS | -7.316 |
| H Acceptors | 4 |
| TotalSurfaceArea | 272.4 |
| Relative PSA | 0.17992 |
| PolarSurfaceArea | 71.24 |
| Druglikeness | -10.361 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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