(9Z)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylic acid
Formula:C14H7N3O7
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9Z)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylic acid is a drug-like molecule.
| MolName | (9Z)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxylic acid |
| MolecularFormula | C14H7N3O7 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2cc([N+]([O-])=O)c3)=N/O)c1-c2c3C(O)=O)=O |
| InChI | InChI=1S/C14H7N3O7/c18-14(19)11-5-7(17(23)24)4-10-12(11)8-2-1-6(16(21)22)3-9(8)13(10)15-20/h1-5,20H,(H,18,19) |
| InChIK | XZJGHMGXVLOYSQ-UHFFFAOYSA-N |
| TotalMolweight | 329.224 |
| Molweight | 329.224 |
| MonoisotopicMass | 329.028402 |
| CLogP | 1.4392 |
| CLogS | -6.024 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 220.28 |
| Relative PSA | 0.50658 |
| PolarSurfaceArea | 161.53 |
| Druglikeness | -6.2235 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| AcidicOxygens | 3 |
| StereoCon |
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