benzyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate
Formula:C21H17NO4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
benzyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate is a drug-like molecule.
| MolName | benzyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate |
| MolecularFormula | C21H17NO4 |
| Smiles | O=C(/C(/NC(c1ccccc1)=O)=C\c1ccco1)OCc1ccccc1 |
| InChI | InChI=1S/C21H17NO4/c23-20(17-10-5-2-6-11-17)22-19(14-18-12-7-13-25-18)21(24)26-15-16-8-3-1-4-9-16/h1-14H,15H2,(H,22,23) |
| InChIK | ZMONFJLVVPFBKU-UHFFFAOYSA-N |
| TotalMolweight | 347.369 |
| Molweight | 347.369 |
| MonoisotopicMass | 347.115759 |
| CLogP | 3.7961 |
| CLogS | -4.507 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 277.9 |
| Relative PSA | 0.22184 |
| PolarSurfaceArea | 68.54 |
| Druglikeness | 2.2224 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
Click to Load Molecule:
1 - benzyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate | 2 - benzyl (E)-2-benzamido-3-(furan-2-yl)prop-2-enoate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off