(E)-3-[3,4-bis(phenylmethoxy)phenyl]prop-2-enoic acid
Formula:C23H20O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3,4-bis(phenylmethoxy)phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[3,4-bis(phenylmethoxy)phenyl]prop-2-enoic acid |
| MolecularFormula | C23H20O4 |
| Smiles | OC(/C=C/c(cc1)cc(OCc2ccccc2)c1OCc1ccccc1)=O |
| InChI | InChI=1S/C23H20O4/c24-23(25)14-12-18-11-13-21(26-16-19-7-3-1-4-8-19)22(15-18)27-17-20-9-5-2-6-10-20/h1-15H,16-17H2,(H,24,25) |
| InChIK | HXUKHSXNXWMNGH-UHFFFAOYSA-N |
| TotalMolweight | 360.408 |
| Molweight | 360.408 |
| MonoisotopicMass | 360.13616 |
| CLogP | 4.1701 |
| CLogS | -4.681 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 290.9 |
| Relative PSA | 0.15861 |
| PolarSurfaceArea | 55.76 |
| Druglikeness | -0.011218 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.51852 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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