4-(4-nitrophenoxy)-N'-pyridin-2-ylbenzenecarboximidamide
Formula:C18H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-(4-nitrophenoxy)-N'-pyridin-2-ylbenzenecarboximidamide is a drug-like molecule.
| MolName | 4-(4-nitrophenoxy)-N'-pyridin-2-ylbenzenecarboximidamide |
| MolecularFormula | C18H14N4O3 |
| Smiles | N/C(/c(cc1)ccc1Oc(cc1)ccc1[N+]([O-])=O)=N\c1ncccc1 |
| InChI | InChI=1S/C18H14N4O3/c19-18(21-17-3-1-2-12-20-17)13-4-8-15(9-5-13)25-16-10-6-14(7-11-16)22(23)24/h1-12H,(H2,19,20,21) |
| InChIK | YSKLDAKAQQNZEI-UHFFFAOYSA-N |
| TotalMolweight | 334.334 |
| Molweight | 334.334 |
| MonoisotopicMass | 334.106591 |
| CLogP | 2.1728 |
| CLogS | -5.41 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 256.7 |
| Relative PSA | 0.30452 |
| PolarSurfaceArea | 106.32 |
| Druglikeness | -6.0495 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| BasicNitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 4-(4-nitrophenoxy)-N'-pyridin-2-ylbenzenecarboximidamide | 2 - 4-(4-nitrophenoxy)-N'-pyridin-2-ylbenzenecarboximidamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off