N-[(Z)-(2-bromophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Formula:C22H17N2OBrS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2-bromophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2-bromophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
| MolecularFormula | C22H17N2OBrS |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c(cccc1)c1Br |
| InChI | InChI=1S/C22H17BrN2OS/c23-20-12-6-1-7-15(20)13-24-25-21(26)14-27-22-18-10-4-2-8-16(18)17-9-3-5-11-19(17)22/h1-13,22H,14H2,(H,25,26) |
| InChIK | YTIDALSXTIASDU-UHFFFAOYSA-N |
| TotalMolweight | 437.36 |
| Molweight | 437.36 |
| MonoisotopicMass | 436.024494 |
| CLogP | 5.4771 |
| CLogS | -8.772 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 295.63 |
| Relative PSA | 0.18097 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 4.0244 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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