(NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylidene]hydroxylamine
Formula:C15H9N3OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylidene]hydroxylamine |
| MolecularFormula | C15H9N3OClF3 |
| Smiles | O/N=C\c(c1c2cccc1)cn2-c(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C15H9ClF3N3O/c16-12-5-10(15(17,18)19)7-20-14(12)22-8-9(6-21-23)11-3-1-2-4-13(11)22/h1-8,23H |
| InChIK | FAXRZDIWHUIJLR-UHFFFAOYSA-N |
| TotalMolweight | 339.703 |
| Molweight | 339.703 |
| MonoisotopicMass | 339.038623 |
| CLogP | 5.6095 |
| CLogS | -5.963 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 231.57 |
| Relative PSA | 0.18331 |
| PolarSurfaceArea | 50.41 |
| Druglikeness | -6.1424 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| 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]indol-3-yl]methylidene]hydroxylamine | 2 - (NZ)-N-[[1-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]indol-3-yl]methylidene]hydroxylamine
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