(E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
Formula:C16H11O3Cl3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C16H11O3Cl3 |
| Smiles | OC(/C=C/c(cc1)cc(Cl)c1OCc(ccc(Cl)c1)c1Cl)=O |
| InChI | InChI=1S/C16H11Cl3O3/c17-12-4-3-11(13(18)8-12)9-22-15-5-1-10(7-14(15)19)2-6-16(20)21/h1-8H,9H2,(H,20,21) |
| InChIK | UHQMSKFYLNNZAY-UHFFFAOYSA-N |
| TotalMolweight | 357.619 |
| Molweight | 357.619 |
| MonoisotopicMass | 355.977376 |
| CLogP | 4.64 |
| CLogS | -5.548 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 253.64 |
| Relative PSA | 0.14249 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | 0.093439 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid | 2 - (E)-3-[3-chloro-4-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
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