N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C14H12N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C14H12N4O4S |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(c2ccccc2)=O)=O)s1)=O |
| InChI | InChI=1S/C14H12N4O4S/c19-12(9-15-14(20)10-4-2-1-3-5-10)17-16-8-11-6-7-13(23-11)18(21)22/h1-8H,9H2,(H,15,20)(H,17,19) |
| InChIK | GFXCXLANLQRORB-UHFFFAOYSA-N |
| TotalMolweight | 332.339 |
| Molweight | 332.339 |
| MonoisotopicMass | 332.057926 |
| CLogP | 1.4199 |
| CLogS | -4.108 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 249.57 |
| Relative PSA | 0.44593 |
| PolarSurfaceArea | 144.62 |
| Druglikeness | 1.4 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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