[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate
Formula:C15H7N2O2ClF6
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate is not a drug-like molecule.
| MolName | [(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate |
| MolecularFormula | C15H7N2O2ClF6 |
| Smiles | O=C(c1cccnc1Cl)O/N=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 |
| InChI | InChI=1S/C15H7ClF6N2O2/c16-12-11(2-1-3-23-12)13(25)26-24-7-8-4-9(14(17,18)19)6-10(5-8)15(20,21)22/h1-7H |
| InChIK | RRWBMJNQAVTAQR-UHFFFAOYSA-N |
| TotalMolweight | 396.674 |
| Molweight | 396.674 |
| MonoisotopicMass | 396.010023 |
| CLogP | 5.3172 |
| CLogS | -5.031 |
| H Acceptors | 4 |
| TotalSurfaceArea | 258.63 |
| Relative PSA | 0.176 |
| PolarSurfaceArea | 51.55 |
| Druglikeness | -10.478 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate | 2 - [(Z)-[3,5-bis(trifluoromethyl)phenyl]methylideneamino] 2-chloropyridine-3-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off