N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyrazine-2-carboxamide
Formula:C12H8N5O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyrazine-2-carboxamide |
| MolecularFormula | C12H8N5O3Cl |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1nccnc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C12H8ClN5O3/c13-9-2-1-8(5-11(9)18(20)21)6-16-17-12(19)10-7-14-3-4-15-10/h1-7H,(H,17,19) |
| InChIK | JQYTTZJHAMHMEO-UHFFFAOYSA-N |
| TotalMolweight | 305.681 |
| Molweight | 305.681 |
| MonoisotopicMass | 305.031567 |
| CLogP | 0.9382 |
| CLogS | -3.351 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 223.6 |
| Relative PSA | 0.39521 |
| PolarSurfaceArea | 113.06 |
| Druglikeness | -0.73119 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyrazine-2-carboxamide | 2 - N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]pyrazine-2-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off