2-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenoxy]acetic acid
Formula:C23H18O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(E)-3-oxo-3-(4-phenylphenyl)prop-1-enyl]phenoxy]acetic acid |
| MolecularFormula | C23H18O4 |
| Smiles | OC(COc1ccc(/C=C/C(c(cc2)ccc2-c2ccccc2)=O)cc1)=O |
| InChI | InChI=1S/C23H18O4/c24-22(15-8-17-6-13-21(14-7-17)27-16-23(25)26)20-11-9-19(10-12-20)18-4-2-1-3-5-18/h1-15H,16H2,(H,25,26) |
| InChIK | TUQVBCPZQVYRID-UHFFFAOYSA-N |
| TotalMolweight | 358.392 |
| Molweight | 358.392 |
| MonoisotopicMass | 358.12051 |
| CLogP | 4.023 |
| CLogS | -5.719 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 284.89 |
| Relative PSA | 0.17263 |
| PolarSurfaceArea | 63.6 |
| Druglikeness | 0.45745 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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