(E)-4-[(5-chloropyridin-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one
Formula:C9H6N2OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-4-[(5-chloropyridin-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one is a drug-like molecule.
| MolName | (E)-4-[(5-chloropyridin-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one |
| MolecularFormula | C9H6N2OClF3 |
| Smiles | O=C(C(F)(F)F)/C=C/Nc(cc1)ncc1Cl |
| InChI | InChI=1S/C9H6ClF3N2O/c10-6-1-2-8(15-5-6)14-4-3-7(16)9(11,12)13/h1-5H,(H,14,15) |
| InChIK | NAPPSDDYMVSIIR-UHFFFAOYSA-N |
| TotalMolweight | 250.607 |
| Molweight | 250.607 |
| MonoisotopicMass | 250.012074 |
| CLogP | 1.7631 |
| CLogS | -3.598 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 172.61 |
| Relative PSA | 0.20549 |
| PolarSurfaceArea | 41.99 |
| Druglikeness | -32.602 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-4-[(5-chloropyridin-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one | 2 - (E)-4-[(5-chloropyridin-2-yl)amino]-1,1,1-trifluorobut-3-en-2-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off