(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
Formula:C16H12O3Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C16H12O3Cl2 |
| Smiles | OC(/C=C/c(cc1)ccc1OCc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C16H12Cl2O3/c17-13-5-4-12(15(18)9-13)10-21-14-6-1-11(2-7-14)3-8-16(19)20/h1-9H,10H2,(H,19,20) |
| InChIK | MUHBSEGNYYVDTK-UHFFFAOYSA-N |
| TotalMolweight | 323.174 |
| Molweight | 323.174 |
| MonoisotopicMass | 322.016349 |
| CLogP | 4.034 |
| CLogS | -4.812 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 238.22 |
| Relative PSA | 0.15171 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.093439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid | 2 - (E)-3-[4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
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