3-(4-nitrophenyl)-N'-pyridin-2-ylpropanimidamide
Formula:C14H14N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-nitrophenyl)-N'-pyridin-2-ylpropanimidamide is a drug-like molecule.
| MolName | 3-(4-nitrophenyl)-N'-pyridin-2-ylpropanimidamide |
| MolecularFormula | C14H14N4O2 |
| Smiles | N/C(/CCc(cc1)ccc1[N+]([O-])=O)=N\c1ncccc1 |
| InChI | InChI=1S/C14H14N4O2/c15-13(17-14-3-1-2-10-16-14)9-6-11-4-7-12(8-5-11)18(19)20/h1-5,7-8,10H,6,9H2,(H2,15,16,17) |
| InChIK | XEJQKHNLKVTBDV-UHFFFAOYSA-N |
| TotalMolweight | 270.291 |
| Molweight | 270.291 |
| MonoisotopicMass | 270.111676 |
| CLogP | 1.2297 |
| CLogS | -3.348 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 214.46 |
| Relative PSA | 0.31787 |
| PolarSurfaceArea | 97.09 |
| Druglikeness | -7.4144 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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