N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Formula:C22H17N2OClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
| MolecularFormula | C22H17N2OClS |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H17ClN2OS/c23-16-11-9-15(10-12-16)13-24-25-21(26)14-27-22-19-7-3-1-5-17(19)18-6-2-4-8-20(18)22/h1-13,22H,14H2,(H,25,26) |
| InChIK | HFFSDZNMXHMAQD-UHFFFAOYSA-N |
| TotalMolweight | 392.909 |
| Molweight | 392.909 |
| MonoisotopicMass | 392.07501 |
| CLogP | 5.3579 |
| CLogS | -8.674 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 292.42 |
| Relative PSA | 0.18296 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 5.8314 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| 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 | 8 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide | 2 - N-[(Z)-(4-chlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off