N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide
Formula:C24H19N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[(4-nitrophenyl)methylsulfanyl]acetamide |
| MolecularFormula | C24H19N3O3S |
| Smiles | [O-][N+](c1ccc(CSCC(N/N=C\c2c(cccc3)c3cc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C24H19N3O3S/c28-24(16-31-15-17-9-11-20(12-10-17)27(29)30)26-25-14-23-21-7-3-1-5-18(21)13-19-6-2-4-8-22(19)23/h1-14H,15-16H2,(H,26,28) |
| InChIK | MTHYFLQPQRXLIB-UHFFFAOYSA-N |
| TotalMolweight | 429.499 |
| Molweight | 429.499 |
| MonoisotopicMass | 429.114712 |
| CLogP | 4.8584 |
| CLogS | -8.179 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 324.87 |
| Relative PSA | 0.25832 |
| PolarSurfaceArea | 112.58 |
| Druglikeness | -0.46401 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 4 |
| Symmetricatoms | 8 |
| AcidicOxygens | 1 |
| StereoCon |
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