3-amino-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide
Formula:C13H10N5OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C13H10N5OF3 |
| Smiles | Nc1nccnc1C(N/N=C\c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C13H10F3N5O/c14-13(15,16)9-3-1-8(2-4-9)7-20-21-12(22)10-11(17)19-6-5-18-10/h1-7H,(H2,17,19)(H,21,22) |
| InChIK | RMKJYPGTHIXSGF-UHFFFAOYSA-N |
| TotalMolweight | 309.25 |
| Molweight | 309.25 |
| MonoisotopicMass | 309.083744 |
| CLogP | 1.7762 |
| CLogS | -3.534 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 222.49 |
| Relative PSA | 0.32909 |
| PolarSurfaceArea | 93.26 |
| Druglikeness | -2.7995 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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