(E)-3-(furan-2-yl)-N-(9H-xanthen-9-yl)prop-2-enamide
Formula:C20H15NO3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
(E)-3-(furan-2-yl)-N-(9H-xanthen-9-yl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(furan-2-yl)-N-(9H-xanthen-9-yl)prop-2-enamide |
| MolecularFormula | C20H15NO3 |
| Smiles | O=C(/C=C/c1ccco1)NC1c(cccc2)c2Oc2c1cccc2 |
| InChI | InChI=1S/C20H15NO3/c22-19(12-11-14-6-5-13-23-14)21-20-15-7-1-3-9-17(15)24-18-10-4-2-8-16(18)20/h1-13,20H,(H,21,22) |
| InChIK | WCJILHJFQUUBOM-UHFFFAOYSA-N |
| TotalMolweight | 317.343 |
| Molweight | 317.343 |
| MonoisotopicMass | 317.105194 |
| CLogP | 4.1149 |
| CLogS | -5.467 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 247.18 |
| Relative PSA | 0.19666 |
| PolarSurfaceArea | 51.47 |
| Druglikeness | 0.45303 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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