(E)-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid
Formula:C12H10O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(4-prop-2-ynoxyphenyl)prop-2-enoic acid |
| MolecularFormula | C12H10O3 |
| Smiles | C#CCOc1ccc(/C=C/C(O)=O)cc1 |
| InChI | InChI=1S/C12H10O3/c1-2-9-15-11-6-3-10(4-7-11)5-8-12(13)14/h1,3-8H,9H2,(H,13,14) |
| InChIK | FBWSQRWQAVNKLC-UHFFFAOYSA-N |
| TotalMolweight | 202.208 |
| Molweight | 202.208 |
| MonoisotopicMass | 202.062995 |
| CLogP | 1.4311 |
| CLogS | -2.641 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 171.43 |
| Relative PSA | 0.21081 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.080346 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.8 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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