N-[6-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide
Formula:C20H22N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[6-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide is a drug-like molecule.
| MolName | N-[6-[(2Z)-2-[(2-nitrophenyl)methylidene]hydrazinyl]-6-oxohexyl]benzamide |
| MolecularFormula | C20H22N4O4 |
| Smiles | [O-][N+](c1c(/C=N\NC(CCCCCNC(c2ccccc2)=O)=O)cccc1)=O |
| InChI | InChI=1S/C20H22N4O4/c25-19(23-22-15-17-11-6-7-12-18(17)24(27)28)13-5-2-8-14-21-20(26)16-9-3-1-4-10-16/h1,3-4,6-7,9-12,15H,2,5,8,13-14H2,(H,21,26)(H,23,25) |
| InChIK | ROIUAABZMQLUCC-UHFFFAOYSA-N |
| TotalMolweight | 382.419 |
| Molweight | 382.419 |
| MonoisotopicMass | 382.164106 |
| CLogP | 3.1813 |
| CLogS | -5.028 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 308.67 |
| Relative PSA | 0.29459 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | -9.5217 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 10 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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