(NZ)-N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine
Formula:C3H3NOBrF3
Mutagenic:low
Tumorigenic:high
Reproductive Effective:high
(NZ)-N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine |
| MolecularFormula | C3H3NOBrF3 |
| Smiles | O/N=C(\CBr)/C(F)(F)F |
| InChI | InChI=1S/C3H3BrF3NO/c4-1-2(8-9)3(5,6)7/h9H,1H2 |
| InChIK | GTAMTJKIIPLJSN-UHFFFAOYSA-N |
| TotalMolweight | 205.961 |
| Molweight | 205.961 |
| MonoisotopicMass | 204.935009 |
| CLogP | 1.8446 |
| CLogS | -2.564 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 104.67 |
| Relative PSA | 0.23512 |
| PolarSurfaceArea | 32.59 |
| Druglikeness | -16.798 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | prim. alkyl-bromide/iodide |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 9 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - (NZ)-N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine | 2 - (NZ)-N-(3-bromo-1,1,1-trifluoropropan-2-ylidene)hydroxylamine
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