(E)-3-(4-chlorophenyl)-N-(9H-fluoren-2-yl)prop-2-enamide
Formula:C22H16NOCl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-3-(4-chlorophenyl)-N-(9H-fluoren-2-yl)prop-2-enamide is not a drug-like molecule.
| MolName | (E)-3-(4-chlorophenyl)-N-(9H-fluoren-2-yl)prop-2-enamide |
| MolecularFormula | C22H16NOCl |
| Smiles | O=C(/C=C/c(cc1)ccc1Cl)Nc(cc1)cc(C2)c1-c1c2cccc1 |
| InChI | InChI=1S/C22H16ClNO/c23-18-8-5-15(6-9-18)7-12-22(25)24-19-10-11-21-17(14-19)13-16-3-1-2-4-20(16)21/h1-12,14H,13H2,(H,24,25) |
| InChIK | IDTKPYVNGKWUAJ-UHFFFAOYSA-N |
| TotalMolweight | 345.828 |
| Molweight | 345.828 |
| MonoisotopicMass | 345.092041 |
| CLogP | 5.7606 |
| CLogS | -6.945 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 264.17 |
| Relative PSA | 0.092743 |
| PolarSurfaceArea | 29.1 |
| Druglikeness | -0.43894 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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