(E)-3-naphthalen-2-ylprop-2-enoate
Formula:C13H9O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-naphthalen-2-ylprop-2-enoate is a drug-like molecule.
| MolName | (E)-3-naphthalen-2-ylprop-2-enoate |
| MolecularFormula | C13H9O2 |
| Smiles | [O-]C(/C=C/c1cc2ccccc2cc1)=O |
| InChI | InChI=1S/C13H10O2/c14-13(15)8-6-10-5-7-11-3-1-2-4-12(11)9-10/h1-9H,(H,14,15)/p-1 |
| InChIK | KWGPBDBAAXYWOJ-UHFFFAOYSA-M |
| TotalMolweight | 197.212 |
| Molweight | 197.212 |
| MonoisotopicMass | 197.060255 |
| CLogP | 0.5923 |
| CLogS | -3.605 |
| H Acceptors | 2 |
| TotalSurfaceArea | 159.64 |
| Relative PSA | 0.17114 |
| PolarSurfaceArea | 40.13 |
| Druglikeness | -0.65021 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 15 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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