2-[(Z)-[(9-hydroxyfluorene-9-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
Formula:C21H14N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-[(9-hydroxyfluorene-9-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-[(9-hydroxyfluorene-9-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate |
| MolecularFormula | C21H14N3O5 |
| Smiles | [O-]c(cc1)c(/C=N\NC(C2(c(cccc3)c3-c3c2cccc3)O)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C21H15N3O5/c25-19-10-9-14(24(28)29)11-13(19)12-22-23-20(26)21(27)17-7-3-1-5-15(17)16-6-2-4-8-18(16)21/h1-12,25,27H,(H,23,26)/p-1 |
| InChIK | KQOVGWHHZQBVKK-UHFFFAOYSA-M |
| TotalMolweight | 388.358 |
| Molweight | 388.358 |
| MonoisotopicMass | 388.093347 |
| CLogP | 0.8635 |
| CLogS | -5.591 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 281.21 |
| Relative PSA | 0.33359 |
| PolarSurfaceArea | 130.57 |
| Druglikeness | 0.3095 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[(9-hydroxyfluorene-9-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate | 2 - 2-[(Z)-[(9-hydroxyfluorene-9-carbonyl)hydrazinylidene]methyl]-4-nitrophenolate
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