(E)-3-(4-iodophenyl)prop-2-enoic acid
Formula:C9H7O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-iodophenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(4-iodophenyl)prop-2-enoic acid |
| MolecularFormula | C9H7O2I |
| Smiles | OC(/C=C/c(cc1)ccc1I)=O |
| InChI | InChI=1S/C9H7IO2/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H,(H,11,12) |
| InChIK | NIDLJAPEZBFHGP-UHFFFAOYSA-N |
| TotalMolweight | 274.053 |
| Molweight | 274.053 |
| MonoisotopicMass | 273.949078 |
| CLogP | 1.911 |
| CLogS | -3.015 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 150.14 |
| Relative PSA | 0.1741 |
| PolarSurfaceArea | 37.3 |
| Druglikeness | 0.83117 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 12 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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