4-chloro-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
Formula:C14H11N4O4ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide is a drug-like molecule.
| MolName | 4-chloro-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide |
| MolecularFormula | C14H11N4O4ClS |
| Smiles | [O-][N+](c1ccc(/C=N\NC(CNC(c(cc2)ccc2Cl)=O)=O)s1)=O |
| InChI | InChI=1S/C14H11ClN4O4S/c15-10-3-1-9(2-4-10)14(21)16-8-12(20)18-17-7-11-5-6-13(24-11)19(22)23/h1-7H,8H2,(H,16,21)(H,18,20) |
| InChIK | LLGOTKJJQUFOTJ-UHFFFAOYSA-N |
| TotalMolweight | 366.784 |
| Molweight | 366.784 |
| MonoisotopicMass | 366.018953 |
| CLogP | 2.0259 |
| CLogS | -4.844 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 264.99 |
| Relative PSA | 0.41998 |
| PolarSurfaceArea | 144.62 |
| Druglikeness | 1.4415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| 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 - 4-chloro-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide | 2 - 4-chloro-N-[2-[(2Z)-2-[(5-nitrothiophen-2-yl)methylidene]hydrazinyl]-2-oxoethyl]benzamide
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