(9Z)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxamide
Formula:C14H8N4O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9Z)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxamide is a drug-like molecule.
| MolName | (9Z)-9-hydroxyimino-2,7-dinitrofluorene-4-carboxamide |
| MolecularFormula | C14H8N4O6 |
| Smiles | NC(c1c(-c(ccc([N+]([O-])=O)c2)c2/C2=N/O)c2cc([N+]([O-])=O)c1)=O |
| InChI | InChI=1S/C14H8N4O6/c15-14(19)11-5-7(18(23)24)4-10-12(11)8-2-1-6(17(21)22)3-9(8)13(10)16-20/h1-5,20H,(H2,15,19) |
| InChIK | GHAJAIGEAOHOEF-UHFFFAOYSA-N |
| TotalMolweight | 328.24 |
| Molweight | 328.24 |
| MonoisotopicMass | 328.044386 |
| CLogP | 1.0414 |
| CLogS | -6.1 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 222.45 |
| Relative PSA | 0.5114 |
| PolarSurfaceArea | 167.32 |
| Druglikeness | -5.5372 |
| 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 | 3 |
| Amides | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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