(NZ)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-2-yl]methylidene]hydroxylamine
Formula:C12H9N2O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[1-[4-(trifluoromethoxy)phenyl]pyrrol-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C12H9N2O2F3 |
| Smiles | O/N=C\c1cccn1-c(cc1)ccc1OC(F)(F)F |
| InChI | InChI=1S/C12H9F3N2O2/c13-12(14,15)19-11-5-3-9(4-6-11)17-7-1-2-10(17)8-16-18/h1-8,18H |
| InChIK | GLDMASJHRXQADT-UHFFFAOYSA-N |
| TotalMolweight | 270.209 |
| Molweight | 270.209 |
| MonoisotopicMass | 270.061612 |
| CLogP | 3.5522 |
| CLogS | -5.675 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 192.79 |
| Relative PSA | 0.21516 |
| PolarSurfaceArea | 46.75 |
| Druglikeness | -6.4494 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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