2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-dinitrophenolate
Formula:C20H11N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-dinitrophenolate is a drug-like molecule.
| MolName | 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-dinitrophenolate |
| MolecularFormula | C20H11N4O5 |
| Smiles | [O-]c(c(/C=N\N=C1c(cccc2)c2-c2c1cccc2)cc([N+]([O-])=O)c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C20H12N4O5/c25-20-12(9-13(23(26)27)10-18(20)24(28)29)11-21-22-19-16-7-3-1-5-14(16)15-6-2-4-8-17(15)19/h1-11,25H/p-1 |
| InChIK | JUONMNNXFYMELB-UHFFFAOYSA-M |
| TotalMolweight | 387.33 |
| Molweight | 387.33 |
| MonoisotopicMass | 387.072946 |
| CLogP | 2.6017 |
| CLogS | -7.532 |
| H Acceptors | 9 |
| TotalSurfaceArea | 281.88 |
| Relative PSA | 0.34816 |
| PolarSurfaceArea | 139.42 |
| Druglikeness | -3.5746 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-dinitrophenolate | 2 - 2-[(Z)-(fluoren-9-ylidenehydrazinylidene)methyl]-4,6-dinitrophenolate
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