N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Formula:C22H16N2OCl2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
| MolecularFormula | C22H16N2OCl2S |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C22H16Cl2N2OS/c23-15-10-9-14(20(24)11-15)12-25-26-21(27)13-28-22-18-7-3-1-5-16(18)17-6-2-4-8-19(17)22/h1-12,22H,13H2,(H,26,27) |
| InChIK | ZIVBVHCQOCYXCX-UHFFFAOYSA-N |
| TotalMolweight | 427.354 |
| Molweight | 427.354 |
| MonoisotopicMass | 426.036037 |
| CLogP | 5.9639 |
| CLogS | -9.41 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 307.84 |
| Relative PSA | 0.17379 |
| 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 | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off