3-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]pyrazine-2-carboxamide
Formula:C12H10N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | 3-amino-N-[(Z)-(4-chlorophenyl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C12H10N5OCl |
| Smiles | Nc1nccnc1C(N/N=C\c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C12H10ClN5O/c13-9-3-1-8(2-4-9)7-17-18-12(19)10-11(14)16-6-5-15-10/h1-7H,(H2,14,16)(H,18,19) |
| InChIK | IRMIEDTWQKFTNH-UHFFFAOYSA-N |
| TotalMolweight | 275.698 |
| Molweight | 275.698 |
| MonoisotopicMass | 275.057387 |
| CLogP | 1.5339 |
| CLogS | -3.492 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 208.45 |
| Relative PSA | 0.35126 |
| PolarSurfaceArea | 93.26 |
| Druglikeness | 4.4006 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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