(Z)-3-(2-bromophenyl)-2-phenylprop-2-enoate
Formula:C15H10O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-3-(2-bromophenyl)-2-phenylprop-2-enoate is a drug-like molecule.
| MolName | (Z)-3-(2-bromophenyl)-2-phenylprop-2-enoate |
| MolecularFormula | C15H10O2Br |
| Smiles | [O-]C(/C(/c1ccccc1)=C\c(cccc1)c1Br)=O |
| InChI | InChI=1S/C15H11BrO2/c16-14-9-5-4-8-12(14)10-13(15(17)18)11-6-2-1-3-7-11/h1-10H,(H,17,18)/p-1 |
| InChIK | AECKGOZZLFYZDE-UHFFFAOYSA-M |
| TotalMolweight | 302.146 |
| Molweight | 302.146 |
| MonoisotopicMass | 300.986416 |
| CLogP | 1.4599 |
| CLogS | -3.79 |
| H Acceptors | 2 |
| TotalSurfaceArea | 201.64 |
| Relative PSA | 0.13549 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -1.4275 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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