phenyl (E)-3-(2-aminophenyl)prop-2-enoate
Formula:C15H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
phenyl (E)-3-(2-aminophenyl)prop-2-enoate is a drug-like molecule.
| MolName | phenyl (E)-3-(2-aminophenyl)prop-2-enoate |
| MolecularFormula | C15H13NO2 |
| Smiles | Nc1c(/C=C/C(Oc2ccccc2)=O)cccc1 |
| InChI | InChI=1S/C15H13NO2/c16-14-9-5-4-6-12(14)10-11-15(17)18-13-7-2-1-3-8-13/h1-11H,16H2 |
| InChIK | PNMHLILTWUMHHX-UHFFFAOYSA-N |
| TotalMolweight | 239.273 |
| Molweight | 239.273 |
| MonoisotopicMass | 239.094629 |
| CLogP | 2.742 |
| CLogS | -3.532 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 195.79 |
| Relative PSA | 0.19567 |
| PolarSurfaceArea | 52.32 |
| Druglikeness | -3.0732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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