(furan-2-ylmethylamino) (E)-3-phenylprop-2-enoate
Formula:C14H13NO3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(furan-2-ylmethylamino) (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | (furan-2-ylmethylamino) (E)-3-phenylprop-2-enoate |
| MolecularFormula | C14H13NO3 |
| Smiles | O=C(/C=C/c1ccccc1)ONCc1ccco1 |
| InChI | InChI=1S/C14H13NO3/c16-14(9-8-12-5-2-1-3-6-12)18-15-11-13-7-4-10-17-13/h1-10,15H,11H2 |
| InChIK | UGQWCTMEWUILMO-UHFFFAOYSA-N |
| TotalMolweight | 243.261 |
| Molweight | 243.261 |
| MonoisotopicMass | 243.089544 |
| CLogP | 1.7696 |
| CLogS | -3.283 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 202.18 |
| Relative PSA | 0.24043 |
| PolarSurfaceArea | 51.47 |
| Druglikeness | -4.4478 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
Click to Load Molecule:
1 - (furan-2-ylmethylamino) (E)-3-phenylprop-2-enoate | 2 - (furan-2-ylmethylamino) (E)-3-phenylprop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off