N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C16H14N4O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(3-nitrophenyl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C16H14N4O4 |
| Smiles | [O-][N+](c1cc(/C=N\NC(CNC(c2ccccc2)=O)=O)ccc1)=O |
| InChI | InChI=1S/C16H14N4O4/c21-15(11-17-16(22)13-6-2-1-3-7-13)19-18-10-12-5-4-8-14(9-12)20(23)24/h1-10H,11H2,(H,17,22)(H,19,21) |
| InChIK | UTLAWHDHLNZJAE-UHFFFAOYSA-N |
| TotalMolweight | 326.311 |
| Molweight | 326.311 |
| MonoisotopicMass | 326.101506 |
| CLogP | 1.3637 |
| CLogS | -3.948 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 253.63 |
| Relative PSA | 0.35851 |
| PolarSurfaceArea | 116.38 |
| Druglikeness | 0.21134 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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