2-(4-nitrophenyl)-N'-pyridin-2-ylethanimidamide
Formula:C13H12N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(4-nitrophenyl)-N'-pyridin-2-ylethanimidamide is a drug-like molecule.
| MolName | 2-(4-nitrophenyl)-N'-pyridin-2-ylethanimidamide |
| MolecularFormula | C13H12N4O2 |
| Smiles | N/C(/Cc(cc1)ccc1[N+]([O-])=O)=N\c1ncccc1 |
| InChI | InChI=1S/C13H12N4O2/c14-12(16-13-3-1-2-8-15-13)9-10-4-6-11(7-5-10)17(18)19/h1-8H,9H2,(H2,14,15,16) |
| InChIK | PCQOMCDVTRXVQP-UHFFFAOYSA-N |
| TotalMolweight | 256.264 |
| Molweight | 256.264 |
| MonoisotopicMass | 256.096026 |
| CLogP | 0.7753 |
| CLogS | -3.078 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 200.7 |
| Relative PSA | 0.33966 |
| PolarSurfaceArea | 97.09 |
| Druglikeness | -6.1724 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68421 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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