N-[(Z)-anthracen-9-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide
Formula:C30H22N2OS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide is not a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-(9H-fluoren-9-ylsulfanyl)acetamide |
| MolecularFormula | C30H22N2OS |
| Smiles | O=C(CSC1c(cccc2)c2-c2c1cccc2)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C30H22N2OS/c33-29(19-34-30-26-15-7-5-13-24(26)25-14-6-8-16-27(25)30)32-31-18-28-22-11-3-1-9-20(22)17-21-10-2-4-12-23(21)28/h1-18,30H,19H2,(H,32,33) |
| InChIK | LMCRVVGYSOQTLX-UHFFFAOYSA-N |
| TotalMolweight | 458.584 |
| Molweight | 458.584 |
| MonoisotopicMass | 458.145283 |
| CLogP | 7.1407 |
| CLogS | -11.15 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 346.2 |
| Relative PSA | 0.15453 |
| PolarSurfaceArea | 66.76 |
| Druglikeness | 5.8144 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.47059 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 5 |
| Rings Closures | 6 |
| Small Rings | 6 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 26 |
| Sp3Atoms | 3 |
| Symmetricatoms | 12 |
| StereoCon |
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