(NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methylidene]hydroxylamine
Formula:C11H7N3OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methylidene]hydroxylamine is a drug-like molecule.
| MolName | (NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methylidene]hydroxylamine |
| MolecularFormula | C11H7N3OClF3 |
| Smiles | O/N=C\c1cccn1-c(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C11H7ClF3N3O/c12-9-4-7(11(13,14)15)5-16-10(9)18-3-1-2-8(18)6-17-19/h1-6,19H |
| InChIK | FOLSOLHOFQDVLS-UHFFFAOYSA-N |
| TotalMolweight | 289.644 |
| Molweight | 289.644 |
| MonoisotopicMass | 289.022973 |
| CLogP | 4.3466 |
| CLogS | -4.486 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 196.97 |
| Relative PSA | 0.21552 |
| PolarSurfaceArea | 50.41 |
| Druglikeness | -5.5197 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - (NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrol-2-yl]methylidene]hydroxylamine
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