3-nitro-N'-pyridin-2-ylbenzenecarboximidamide
Formula:C12H10N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N'-pyridin-2-ylbenzenecarboximidamide is a drug-like molecule.
| MolName | 3-nitro-N'-pyridin-2-ylbenzenecarboximidamide |
| MolecularFormula | C12H10N4O2 |
| Smiles | N/C(/c1cccc([N+]([O-])=O)c1)=N\c1ncccc1 |
| InChI | InChI=1S/C12H10N4O2/c13-12(15-11-6-1-2-7-14-11)9-4-3-5-10(8-9)16(17)18/h1-8H,(H2,13,14,15) |
| InChIK | BNWSHEFEOFDDTM-UHFFFAOYSA-N |
| TotalMolweight | 242.237 |
| Molweight | 242.237 |
| MonoisotopicMass | 242.080376 |
| CLogP | 0.7772 |
| CLogS | -3.113 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 186.94 |
| Relative PSA | 0.36466 |
| PolarSurfaceArea | 97.09 |
| Druglikeness | -6.111 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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