(NZ)-N-(2,3-dichloro-7-nitrofluoren-9-ylidene)hydroxylamine
Formula:C13H6N2O3Cl2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(NZ)-N-(2,3-dichloro-7-nitrofluoren-9-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-(2,3-dichloro-7-nitrofluoren-9-ylidene)hydroxylamine |
| MolecularFormula | C13H6N2O3Cl2 |
| Smiles | [O-][N+](c(cc1)cc(/C(/c2c3)=N/O)c1-c2cc(Cl)c3Cl)=O |
| InChI | InChI=1S/C13H6Cl2N2O3/c14-11-4-8-7-2-1-6(17(19)20)3-9(7)13(16-18)10(8)5-12(11)15/h1-5,18H |
| InChIK | RYQFXINIVCENDT-UHFFFAOYSA-N |
| TotalMolweight | 309.108 |
| Molweight | 309.108 |
| MonoisotopicMass | 307.975547 |
| CLogP | 4.0877 |
| CLogS | -7.023 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 203.35 |
| Relative PSA | 0.27062 |
| PolarSurfaceArea | 78.41 |
| Druglikeness | -6.4661 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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