2-nitro-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
Formula:C19H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-nitro-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide is a drug-like molecule.
| MolName | 2-nitro-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide |
| MolecularFormula | C19H14N4O3 |
| Smiles | [O-][N+](c(cccc1)c1C(N/N=C(/c1ccccc1)\c1cnccc1)=O)=O |
| InChI | InChI=1S/C19H14N4O3/c24-19(16-10-4-5-11-17(16)23(25)26)22-21-18(14-7-2-1-3-8-14)15-9-6-12-20-13-15/h1-13H,(H,22,24) |
| InChIK | BTUUWBBVYBHVBM-UHFFFAOYSA-N |
| TotalMolweight | 346.345 |
| Molweight | 346.345 |
| MonoisotopicMass | 346.106591 |
| CLogP | 2.4758 |
| CLogS | -5.162 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 267.39 |
| Relative PSA | 0.28946 |
| PolarSurfaceArea | 100.17 |
| Druglikeness | -1.8515 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-nitro-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide | 2 - 2-nitro-N-[(Z)-[phenyl(pyridin-3-yl)methylidene]amino]benzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off