2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate
Formula:C20H12N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate |
| MolecularFormula | C20H12N3O3 |
| Smiles | [O-]c(cc1)c(/C=N\N=C2c(cccc3)c3-c3c2cccc3)cc1[N+]([O-])=O |
| InChI | InChI=1S/C20H13N3O3/c24-19-10-9-14(23(25)26)11-13(19)12-21-22-20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-12,24H/p-1 |
| InChIK | IMVJNWBYQSODKO-UHFFFAOYSA-M |
| TotalMolweight | 342.333 |
| Molweight | 342.333 |
| MonoisotopicMass | 342.087867 |
| CLogP | 3.5233 |
| CLogS | -7.072 |
| H Acceptors | 6 |
| TotalSurfaceArea | 258.21 |
| Relative PSA | 0.26227 |
| PolarSurfaceArea | 93.6 |
| Druglikeness | -3.5746 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate | 2 - 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4-nitrophenolate
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