(E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoic acid
Formula:C16H12O3BrCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-[4-[(4-bromophenyl)methoxy]-3-chlorophenyl]prop-2-enoic acid |
| MolecularFormula | C16H12O3BrCl |
| Smiles | OC(/C=C/c(cc1)cc(Cl)c1OCc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C16H12BrClO3/c17-13-5-1-12(2-6-13)10-21-15-7-3-11(9-14(15)18)4-8-16(19)20/h1-9H,10H2,(H,19,20) |
| InChIK | GMYYWYROYPKQFV-UHFFFAOYSA-N |
| TotalMolweight | 367.625 |
| Molweight | 367.625 |
| MonoisotopicMass | 365.965833 |
| CLogP | 4.1532 |
| CLogS | -4.91 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 241.43 |
| Relative PSA | 0.14969 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -1.6966 |
| 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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