N-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide
Formula:C24H16NO4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide is not a drug-like molecule.
| MolName | N-[3-[(E)-3-[5-(2-chlorophenyl)furan-2-yl]prop-2-enoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C24H16NO4Cl |
| Smiles | O=C(/C=C/c1ccc(-c(cccc2)c2Cl)o1)c1cc(NC(c2ccco2)=O)ccc1 |
| InChI | InChI=1S/C24H16ClNO4/c25-20-8-2-1-7-19(20)22-13-11-18(30-22)10-12-21(27)16-5-3-6-17(15-16)26-24(28)23-9-4-14-29-23/h1-15H,(H,26,28) |
| InChIK | IXUNBNCMVGEFOY-UHFFFAOYSA-N |
| TotalMolweight | 417.847 |
| Molweight | 417.847 |
| MonoisotopicMass | 417.076786 |
| CLogP | 5.1849 |
| CLogS | -7.23 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 320.8 |
| Relative PSA | 0.20499 |
| PolarSurfaceArea | 72.45 |
| Druglikeness | 3.3257 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Amides | 1 |
| StereoCon |
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