(9Z)-9-hydroxyimino-2,5,7-trinitro-N-[3-(trifluoromethyl)phenyl]fluorene-4-carboxamide
Formula:C21H10N5O8F3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(9Z)-9-hydroxyimino-2,5,7-trinitro-N-[3-(trifluoromethyl)phenyl]fluorene-4-carboxamide is not a drug-like molecule.
| MolName | (9Z)-9-hydroxyimino-2,5,7-trinitro-N-[3-(trifluoromethyl)phenyl]fluorene-4-carboxamide |
| MolecularFormula | C21H10N5O8F3 |
| Smiles | [O-][N+](c(cc1/C(/c2cc([N+]([O-])=O)c3)=N/O)cc(C(Nc4cccc(C(F)(F)F)c4)=O)c1-c2c3[N+]([O-])=O)=O |
| InChI | InChI=1S/C21H10F3N5O8/c22-21(23,24)9-2-1-3-10(4-9)25-20(30)15-7-11(27(32)33)5-13-17(15)18-14(19(13)26-31)6-12(28(34)35)8-16(18)29(36)37/h1-8,31H,(H,25,30) |
| InChIK | AGJXXQNFXFUWPF-UHFFFAOYSA-N |
| TotalMolweight | 517.331 |
| Molweight | 517.331 |
| MonoisotopicMass | 517.048149 |
| CLogP | 3.0283 |
| CLogS | -8.761 |
| H Acceptors | 13 |
| H Donors | 2 |
| TotalSurfaceArea | 338.28 |
| Relative PSA | 0.41495 |
| PolarSurfaceArea | 199.15 |
| Druglikeness | -11.478 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.40541 |
| Fragments | 1 |
| Non HAtoms | 37 |
| NonCHAtoms | 16 |
| Electronegative Atoms | 16 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 3 |
| StereoCon |
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