(3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-1,4-dihydroquinoxalin-2-one
Formula:C15H9N3OClF3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-1,4-dihydroquinoxalin-2-one is a drug-like molecule.
| MolName | (3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-1,4-dihydroquinoxalin-2-one |
| MolecularFormula | C15H9N3OClF3 |
| Smiles | O=C1Nc(cccc2)c2N/C1=C\c(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C15H9ClF3N3O/c16-9-5-8(15(17,18)19)7-20-12(9)6-13-14(23)22-11-4-2-1-3-10(11)21-13/h1-7,21H,(H,22,23) |
| InChIK | IPGPYAYGNRZINK-UHFFFAOYSA-N |
| TotalMolweight | 339.703 |
| Molweight | 339.703 |
| MonoisotopicMass | 339.038623 |
| CLogP | 2.463 |
| CLogS | -4.585 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 228.54 |
| Relative PSA | 0.20535 |
| PolarSurfaceArea | 54.02 |
| Druglikeness | -4.8292 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - (3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-1,4-dihydroquinoxalin-2-one | 2 - (3Z)-3-[[3-chloro-5-(trifluoromethyl)pyridin-2-yl]methylidene]-1,4-dihydroquinoxalin-2-one
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