(E)-2-(benzenesulfonyl)-3-(2-hydroxyphenyl)prop-2-enenitrile
Formula:C15H11NO3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-2-(benzenesulfonyl)-3-(2-hydroxyphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(benzenesulfonyl)-3-(2-hydroxyphenyl)prop-2-enenitrile |
| MolecularFormula | C15H11NO3S |
| Smiles | N#C/C(/S(c1ccccc1)(=O)=O)=C\c(cccc1)c1O |
| InChI | InChI=1S/C15H11NO3S/c16-11-14(10-12-6-4-5-9-15(12)17)20(18,19)13-7-2-1-3-8-13/h1-10,17H |
| InChIK | MQNDMJIMYWHKPB-UHFFFAOYSA-N |
| TotalMolweight | 285.322 |
| Molweight | 285.322 |
| MonoisotopicMass | 285.045964 |
| CLogP | 2.0638 |
| CLogS | -3.947 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 214.37 |
| Relative PSA | 0.25769 |
| PolarSurfaceArea | 86.54 |
| Druglikeness | -12.676 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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