N-[(Z)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide
Formula:C12H14N4O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
N-[(Z)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide is a drug-like molecule.
| MolName | N-[(Z)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide |
| MolecularFormula | C12H14N4O3 |
| Smiles | [O-][N+](C(CCCC1)/C1=N\NC(c1ccncc1)=O)=O |
| InChI | InChI=1S/C12H14N4O3/c17-12(9-5-7-13-8-6-9)15-14-10-3-1-2-4-11(10)16(18)19/h5-8,11H,1-4H2,(H,15,17)/b14-10-/t11-/m0/s1 |
| InChIK | NKXJPYXGDPYKMT-HKLRHMNMSA-N |
| TotalMolweight | 262.268 |
| Molweight | 262.268 |
| MonoisotopicMass | 262.106591 |
| CLogP | 0.4942 |
| CLogS | -2.816 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 201.91 |
| Relative PSA | 0.38334 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -6.7375 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - N-[(Z)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide | 2 - N-[(Z)-(2-nitrocyclohexylidene)amino]pyridine-4-carboxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off