(E)-N-(9H-fluoren-9-yl)-3-phenylsulfanylprop-2-enamide
Formula:C22H17NOS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(9H-fluoren-9-yl)-3-phenylsulfanylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(9H-fluoren-9-yl)-3-phenylsulfanylprop-2-enamide |
| MolecularFormula | C22H17NOS |
| Smiles | O=C(/C=C/Sc1ccccc1)NC1c(cccc2)c2-c2c1cccc2 |
| InChI | InChI=1S/C22H17NOS/c24-21(14-15-25-16-8-2-1-3-9-16)23-22-19-12-6-4-10-17(19)18-11-5-7-13-20(18)22/h1-15,22H,(H,23,24) |
| InChIK | XVRUFDINVABCTJ-UHFFFAOYSA-N |
| TotalMolweight | 343.449 |
| Molweight | 343.449 |
| MonoisotopicMass | 343.103084 |
| CLogP | 4.782 |
| CLogS | -5.962 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 264.98 |
| Relative PSA | 0.15846 |
| PolarSurfaceArea | 54.4 |
| Druglikeness | 0.52185 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Amides | 1 |
| StereoCon |
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