(E)-3-[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid
Formula:C16H10O3Br2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid is not a drug-like molecule.
| MolName | (E)-3-[3,5-dibromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enoic acid |
| MolecularFormula | C16H10O3Br2Cl2 |
| Smiles | OC(/C=C/c(cc1Br)cc(Br)c1OCc(cc1)cc(Cl)c1Cl)=O |
| InChI | InChI=1S/C16H10Br2Cl2O3/c17-11-5-9(2-4-15(21)22)6-12(18)16(11)23-8-10-1-3-13(19)14(20)7-10/h1-7H,8H2,(H,21,22) |
| InChIK | CDQGEDDNUCGRSI-UHFFFAOYSA-N |
| TotalMolweight | 480.966 |
| Molweight | 480.966 |
| MonoisotopicMass | 477.837371 |
| CLogP | 5.4844 |
| CLogS | -6.48 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 275.48 |
| Relative PSA | 0.13119 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -1.6966 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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