9-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]fluorene-9-carboxamide
Formula:C21H15N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
9-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]fluorene-9-carboxamide is a drug-like molecule.
| MolName | 9-hydroxy-N-[(Z)-(3-nitrophenyl)methylideneamino]fluorene-9-carboxamide |
| MolecularFormula | C21H15N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(C2(c(cccc3)c3-c3c2cccc3)O)=O)ccc1)=O |
| InChI | InChI=1S/C21H15N3O4/c25-20(23-22-13-14-6-5-7-15(12-14)24(27)28)21(26)18-10-3-1-8-16(18)17-9-2-4-11-19(17)21/h1-13,26H,(H,23,25) |
| InChIK | TZBIOAXLHKKLGD-UHFFFAOYSA-N |
| TotalMolweight | 373.367 |
| Molweight | 373.367 |
| MonoisotopicMass | 373.106257 |
| CLogP | 2.7872 |
| CLogS | -5.887 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 273.68 |
| Relative PSA | 0.29059 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | 0.31741 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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