(E)-3-naphthalen-2-ylsulfonylprop-2-enoate
Formula:C13H9O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-naphthalen-2-ylsulfonylprop-2-enoate is a drug-like molecule.
| MolName | (E)-3-naphthalen-2-ylsulfonylprop-2-enoate |
| MolecularFormula | C13H9O4S |
| Smiles | [O-]C(/C=C/S(c1cc2ccccc2cc1)(=O)=O)=O |
| InChI | InChI=1S/C13H10O4S/c14-13(15)7-8-18(16,17)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,14,15)/p-1 |
| InChIK | IFJBGINNLKYBBQ-UHFFFAOYSA-M |
| TotalMolweight | 261.276 |
| Molweight | 261.276 |
| MonoisotopicMass | 261.022155 |
| CLogP | -0.8364 |
| CLogS | -3.562 |
| H Acceptors | 4 |
| TotalSurfaceArea | 188.22 |
| Relative PSA | 0.29699 |
| PolarSurfaceArea | 82.65 |
| Druglikeness | -2.3274 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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