N-[(Z)-9H-fluoren-2-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide
Formula:C22H17N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-9H-fluoren-2-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-9H-fluoren-2-ylmethylideneamino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C22H17N3O4 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c(cc1)cc(C2)c1-c1c2cccc1)=O)=O |
| InChI | InChI=1S/C22H17N3O4/c26-22(14-29-21-8-4-3-7-20(21)25(27)28)24-23-13-15-9-10-19-17(11-15)12-16-5-1-2-6-18(16)19/h1-11,13H,12,14H2,(H,24,26) |
| InChIK | ZAQPHVWFPZRNGQ-UHFFFAOYSA-N |
| TotalMolweight | 387.394 |
| Molweight | 387.394 |
| MonoisotopicMass | 387.121907 |
| CLogP | 3.8732 |
| CLogS | -6.672 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 294.44 |
| Relative PSA | 0.25958 |
| PolarSurfaceArea | 96.51 |
| Druglikeness | -1.0192 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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