2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]acetic acid
Formula:C17H13O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]acetic acid |
| MolecularFormula | C17H13O4Cl |
| Smiles | OC(COc(cc1)ccc1C(/C=C/c(cc1)ccc1Cl)=O)=O |
| InChI | InChI=1S/C17H13ClO4/c18-14-6-1-12(2-7-14)3-10-16(19)13-4-8-15(9-5-13)22-11-17(20)21/h1-10H,11H2,(H,20,21) |
| InChIK | VHEONRIOSZXIEK-UHFFFAOYSA-N |
| TotalMolweight | 316.739 |
| Molweight | 316.739 |
| MonoisotopicMass | 316.050237 |
| CLogP | 2.9698 |
| CLogS | -4.369 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 240.55 |
| Relative PSA | 0.20445 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | 0.5565 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]acetic acid | 2 - 2-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenoxy]acetic acid
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