N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyrazine-2-carboxamide
Formula:C13H9N4O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(6-chloro-1,3-benzodioxol-5-yl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C13H9N4O3Cl |
| Smiles | O=C(c1nccnc1)N/N=C\c(cc1OCOc1c1)c1Cl |
| InChI | InChI=1S/C13H9ClN4O3/c14-9-4-12-11(20-7-21-12)3-8(9)5-17-18-13(19)10-6-15-1-2-16-10/h1-6H,7H2,(H,18,19) |
| InChIK | MWKWYYCDCIGNKF-UHFFFAOYSA-N |
| TotalMolweight | 304.692 |
| Molweight | 304.692 |
| MonoisotopicMass | 304.036318 |
| CLogP | 1.9712 |
| CLogS | -3.602 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 220.19 |
| Relative PSA | 0.35401 |
| PolarSurfaceArea | 85.7 |
| Druglikeness | 4.2605 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 2 |
| StereoCon |
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