(E)-3-(4-pyrimidin-2-yloxyphenyl)prop-2-enoic acid
Formula:C13H10N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-pyrimidin-2-yloxyphenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(4-pyrimidin-2-yloxyphenyl)prop-2-enoic acid |
| MolecularFormula | C13H10N2O3 |
| Smiles | OC(/C=C/c(cc1)ccc1Oc1ncccn1)=O |
| InChI | InChI=1S/C13H10N2O3/c16-12(17)7-4-10-2-5-11(6-3-10)18-13-14-8-1-9-15-13/h1-9H,(H,16,17) |
| InChIK | APRNLMIZUQMXDA-UHFFFAOYSA-N |
| TotalMolweight | 242.233 |
| Molweight | 242.233 |
| MonoisotopicMass | 242.069143 |
| CLogP | 1.6758 |
| CLogS | -3.563 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 191.14 |
| Relative PSA | 0.30386 |
| PolarSurfaceArea | 72.31 |
| Druglikeness | 0.34618 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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