(E)-3-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid
Formula:C14H17NO5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]prop-2-enoic acid |
| MolecularFormula | C14H17NO5S |
| Smiles | OC(/C=C/c(cc1)ccc1S(NCC1OCCC1)(=O)=O)=O |
| InChI | InChI=1S/C14H17NO5S/c16-14(17)8-5-11-3-6-13(7-4-11)21(18,19)15-10-12-2-1-9-20-12/h3-8,12,15H,1-2,9-10H2,(H,16,17)/t12-/m1/s1 |
| InChIK | KMBFDSIWSFCRKM-GFCCVEGCSA-N |
| TotalMolweight | 311.357 |
| Molweight | 311.357 |
| MonoisotopicMass | 311.082744 |
| CLogP | 0.8991 |
| CLogS | -2.237 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 227.94 |
| Relative PSA | 0.33421 |
| PolarSurfaceArea | 101.08 |
| Druglikeness | 2.2122 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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