N-[4-[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]furan-2-carboxamide
Formula:C21H15NO5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
N-[4-[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[4-[(Z)-3-(1,3-benzodioxol-5-yl)prop-2-enoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C21H15NO5 |
| Smiles | O=C(/C=C\c(cc1)cc2c1OCO2)c(cc1)ccc1NC(c1ccco1)=O |
| InChI | InChI=1S/C21H15NO5/c23-17(9-3-14-4-10-18-20(12-14)27-13-26-18)15-5-7-16(8-6-15)22-21(24)19-2-1-11-25-19/h1-12H,13H2,(H,22,24) |
| InChIK | GWOHVBOYOIQSQF-UHFFFAOYSA-N |
| TotalMolweight | 361.352 |
| Molweight | 361.352 |
| MonoisotopicMass | 361.095024 |
| CLogP | 3.7514 |
| CLogS | -5.745 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 276.19 |
| Relative PSA | 0.25942 |
| PolarSurfaceArea | 77.77 |
| Druglikeness | 2.3328 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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