N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide
Formula:C23H16N3O4Cl
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(E)-anthracen-9-ylmethylideneamino]-2-(4-chloro-2-nitrophenoxy)acetamide |
| MolecularFormula | C23H16N3O4Cl |
| Smiles | [O-][N+](c(cc(cc1)Cl)c1OCC(N/N=C/c1c(cccc2)c2cc2ccccc12)=O)=O |
| InChI | InChI=1S/C23H16ClN3O4/c24-17-9-10-22(21(12-17)27(29)30)31-14-23(28)26-25-13-20-18-7-3-1-5-15(18)11-16-6-2-4-8-19(16)20/h1-13H,14H2,(H,26,28) |
| InChIK | MEHGGQLWVKAJOW-UHFFFAOYSA-N |
| TotalMolweight | 433.85 |
| Molweight | 433.85 |
| MonoisotopicMass | 433.082934 |
| CLogP | 4.8497 |
| CLogS | -7.909 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 319.04 |
| Relative PSA | 0.23956 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -0.88926 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.51613 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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