(NZ)-N-(2-amino-3-nitrofluoren-9-ylidene)hydroxylamine
Formula:C13H9N3O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-(2-amino-3-nitrofluoren-9-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-(2-amino-3-nitrofluoren-9-ylidene)hydroxylamine |
| MolecularFormula | C13H9N3O3 |
| Smiles | Nc(cc(c(-c1c2cccc1)c1)/C2=N\O)c1[N+]([O-])=O |
| InChI | InChI=1S/C13H9N3O3/c14-11-5-10-9(6-12(11)16(18)19)7-3-1-2-4-8(7)13(10)15-17/h1-6,17H,14H2 |
| InChIK | UCHJWUYKBDWOMC-UHFFFAOYSA-N |
| TotalMolweight | 255.232 |
| Molweight | 255.232 |
| MonoisotopicMass | 255.064392 |
| CLogP | 2.1984 |
| CLogS | -5.627 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 181.03 |
| Relative PSA | 0.38833 |
| PolarSurfaceArea | 104.43 |
| Druglikeness | -6.5758 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.47368 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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