2-[(E)-2-phenylethenyl]benzoate
Formula:C15H11O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-phenylethenyl]benzoate is a drug-like molecule.
| MolName | 2-[(E)-2-phenylethenyl]benzoate |
| MolecularFormula | C15H11O2 |
| Smiles | [O-]C(c1c(/C=C/c2ccccc2)cccc1)=O |
| InChI | InChI=1S/C15H12O2/c16-15(17)14-9-5-4-8-13(14)11-10-12-6-2-1-3-7-12/h1-11H,(H,16,17)/p-1 |
| InChIK | MGJDPQKVELOHMT-UHFFFAOYSA-M |
| TotalMolweight | 223.25 |
| Molweight | 223.25 |
| MonoisotopicMass | 223.075905 |
| CLogP | 1.2757 |
| CLogS | -3.765 |
| H Acceptors | 2 |
| TotalSurfaceArea | 184.8 |
| Relative PSA | 0.14784 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -1.1552 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| 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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1 - 2-[(E)-2-phenylethenyl]benzoate | 2 - 2-[(E)-2-phenylethenyl]benzoate
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