N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide
Formula:C14H11N5O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(2-nitrophenyl)prop-2-enylidene]amino]pyrazine-2-carboxamide |
| MolecularFormula | C14H11N5O3 |
| Smiles | [O-][N+](c1c(/C=C/C=N\NC(c2nccnc2)=O)cccc1)=O |
| InChI | InChI=1S/C14H11N5O3/c20-14(12-10-15-8-9-16-12)18-17-7-3-5-11-4-1-2-6-13(11)19(21)22/h1-10H,(H,18,20) |
| InChIK | LPHKLEXVOYDEMO-UHFFFAOYSA-N |
| TotalMolweight | 297.273 |
| Molweight | 297.273 |
| MonoisotopicMass | 297.08619 |
| CLogP | 0.3505 |
| CLogS | -2.907 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 234.68 |
| Relative PSA | 0.37656 |
| PolarSurfaceArea | 113.06 |
| Druglikeness | -0.71953 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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