2-chloro-N-[(Z)-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
Formula:C18H12N4OClF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-chloro-N-[(Z)-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide is a drug-like molecule.
| MolName | 2-chloro-N-[(Z)-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide |
| MolecularFormula | C18H12N4OClF3 |
| Smiles | O=C(c1cccnc1Cl)N/N=C\c1cccn1-c1cc(C(F)(F)F)ccc1 |
| InChI | InChI=1S/C18H12ClF3N4O/c19-16-15(7-2-8-23-16)17(27)25-24-11-14-6-3-9-26(14)13-5-1-4-12(10-13)18(20,21)22/h1-11H,(H,25,27) |
| InChIK | NKXTYIDQQQRINM-UHFFFAOYSA-N |
| TotalMolweight | 392.767 |
| Molweight | 392.767 |
| MonoisotopicMass | 392.065172 |
| CLogP | 3.9913 |
| CLogS | -6.54 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 279.59 |
| Relative PSA | 0.1926 |
| PolarSurfaceArea | 59.28 |
| Druglikeness | -1.7042 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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1 - 2-chloro-N-[(Z)-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide | 2 - 2-chloro-N-[(Z)-[1-[3-(trifluoromethyl)phenyl]pyrrol-2-yl]methylideneamino]pyridine-3-carboxamide
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