1-[4-[(E)-2-carboxylatoethenyl]phenyl]sulfonylpiperidine-4-carboxylate
Formula:C15H15NO6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-[4-[(E)-2-carboxylatoethenyl]phenyl]sulfonylpiperidine-4-carboxylate is a drug-like molecule.
| MolName | 1-[4-[(E)-2-carboxylatoethenyl]phenyl]sulfonylpiperidine-4-carboxylate |
| MolecularFormula | C15H15NO6S |
| Smiles | [O-]C(C(CC1)CCN1S(c1ccc(/C=C/C([O-])=O)cc1)(=O)=O)=O |
| InChI | InChI=1S/C15H17NO6S/c17-14(18)6-3-11-1-4-13(5-2-11)23(21,22)16-9-7-12(8-10-16)15(19)20/h1-6,12H,7-10H2,(H,17,18)(H,19,20)/p-2 |
| InChIK | YYYJUZKLZDPDSH-UHFFFAOYSA-L |
| TotalMolweight | 337.351 |
| Molweight | 337.351 |
| MonoisotopicMass | 337.062009 |
| CLogP | -3.4783 |
| CLogS | -1.729 |
| H Acceptors | 7 |
| TotalSurfaceArea | 243.24 |
| Relative PSA | 0.35673 |
| PolarSurfaceArea | 126.02 |
| Druglikeness | 5.2732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 5 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 1-[4-[(E)-2-carboxylatoethenyl]phenyl]sulfonylpiperidine-4-carboxylate | 2 - 1-[4-[(E)-2-carboxylatoethenyl]phenyl]sulfonylpiperidine-4-carboxylate
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