N-[(9Z)-9-hydroxyimino-3-nitrofluoren-2-yl]acetamide
Formula:C15H11N3O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(9Z)-9-hydroxyimino-3-nitrofluoren-2-yl]acetamide is a drug-like molecule.
| MolName | N-[(9Z)-9-hydroxyimino-3-nitrofluoren-2-yl]acetamide |
| MolecularFormula | C15H11N3O4 |
| Smiles | CC(Nc(cc(c(-c1c2cccc1)c1)/C2=N\O)c1[N+]([O-])=O)=O |
| InChI | InChI=1S/C15H11N3O4/c1-8(19)16-13-6-12-11(7-14(13)18(21)22)9-4-2-3-5-10(9)15(12)17-20/h2-7,20H,1H3,(H,16,19) |
| InChIK | LPHDYKCTQHQVKE-UHFFFAOYSA-N |
| TotalMolweight | 297.269 |
| Molweight | 297.269 |
| MonoisotopicMass | 297.074957 |
| CLogP | 2.5794 |
| CLogS | -5.893 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 213.98 |
| Relative PSA | 0.37167 |
| PolarSurfaceArea | 107.51 |
| Druglikeness | -4.4355 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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