3-nitro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide
Formula:C19H14N4O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-nitro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide is a drug-like molecule.
| MolName | 3-nitro-N-[(E)-[phenyl(pyridin-2-yl)methylidene]amino]benzamide |
| MolecularFormula | C19H14N4O3 |
| Smiles | [O-][N+](c1cc(C(N/N=C(\c2ccccc2)/c2ncccc2)=O)ccc1)=O |
| InChI | InChI=1S/C19H14N4O3/c24-19(15-9-6-10-16(13-15)23(25)26)22-21-18(14-7-2-1-3-8-14)17-11-4-5-12-20-17/h1-13H,(H,22,24) |
| InChIK | KQDQBRUZHZMHIN-UHFFFAOYSA-N |
| TotalMolweight | 346.345 |
| Molweight | 346.345 |
| MonoisotopicMass | 346.106591 |
| CLogP | 2.5298 |
| CLogS | -5.186 |
| 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 | 0.5 |
| 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 |
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