(E)-3-(4-arsorosophenyl)prop-2-enoic acid
Formula:C9H7O3As
Mutagenic:low
Tumorigenic:low
Reproductive Effective:low
(E)-3-(4-arsorosophenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(4-arsorosophenyl)prop-2-enoic acid |
| MolecularFormula | C9H7O3As |
| Smiles | OC(/C=C/c(cc1)ccc1[As]=O)=O |
| InChI | InChI=1S/C9H7AsO3/c11-9(12)6-3-7-1-4-8(10-13)5-2-7/h1-6H,(H,11,12) |
| InChIK | FUSKXBLLZVKVAW-UHFFFAOYSA-N |
| TotalMolweight | 238.074 |
| Molweight | 238.074 |
| MonoisotopicMass | 237.961114 |
| CLogP | 1.529 |
| CLogS | -1.818 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 130.15 |
| Relative PSA | 0.30104 |
| PolarSurfaceArea | 54.37 |
| Druglikeness | 0.36939 |
| Mutagenic | low |
| Tumorigenic | low |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | unwanted atom |
| Shape Index | 0.76923 |
| Fragments | 1 |
| Non HAtoms | 13 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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