(NE)-N-[2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-fluorophenyl)ethylidene]hydroxylamine
Formula:C21H15N2O2ClF4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(NE)-N-[2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-fluorophenyl)ethylidene]hydroxylamine is not a drug-like molecule.
| MolName | (NE)-N-[2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-fluorophenyl)ethylidene]hydroxylamine |
| MolecularFormula | C21H15N2O2ClF4 |
| Smiles | O/N=C(/COc1ccc(Cc(ncc(C(F)(F)F)c2)c2Cl)cc1)\c(cc1)ccc1F |
| InChI | InChI=1S/C21H15ClF4N2O2/c22-18-10-15(21(24,25)26)11-27-19(18)9-13-1-7-17(8-2-13)30-12-20(28-29)14-3-5-16(23)6-4-14/h1-8,10-11,29H,9,12H2 |
| InChIK | IGJKRFLPYHIMPY-UHFFFAOYSA-N |
| TotalMolweight | 438.807 |
| Molweight | 438.807 |
| MonoisotopicMass | 438.075817 |
| CLogP | 5.595 |
| CLogS | -6.393 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 309.61 |
| Relative PSA | 0.14722 |
| PolarSurfaceArea | 54.71 |
| Druglikeness | -8.6775 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (NE)-N-[2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-fluorophenyl)ethylidene]hydroxylamine | 2 - (NE)-N-[2-[4-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methyl]phenoxy]-1-(4-fluorophenyl)ethylidene]hydroxylamine
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off