(E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide
Formula:C17H17NO3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide |
| MolecularFormula | C17H17NO3 |
| Smiles | O=C(/C=C/c1ccco1)NCC1OCCc2c1cccc2 |
| InChI | InChI=1S/C17H17NO3/c19-17(8-7-14-5-3-10-20-14)18-12-16-15-6-2-1-4-13(15)9-11-21-16/h1-8,10,16H,9,11-12H2,(H,18,19)/t16-/m0/s1 |
| InChIK | COMWIFTWQXILEG-INIZCTEOSA-N |
| TotalMolweight | 283.326 |
| Molweight | 283.326 |
| MonoisotopicMass | 283.120844 |
| CLogP | 2.1486 |
| CLogS | -3.037 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 228.7 |
| Relative PSA | 0.21255 |
| PolarSurfaceArea | 51.47 |
| Druglikeness | 0.72175 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| StereoCenters | 1 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide | 2 - (E)-N-(3,4-dihydro-1H-isochromen-1-ylmethyl)-3-(furan-2-yl)prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off