N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
Formula:C14H12N3O2ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide is a drug-like molecule.
| MolName | N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide |
| MolecularFormula | C14H12N3O2ClS |
| Smiles | O=C(CNC(c1cccs1)=O)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C14H12ClN3O2S/c15-11-4-1-3-10(7-11)8-17-18-13(19)9-16-14(20)12-5-2-6-21-12/h1-8H,9H2,(H,16,20)(H,18,19) |
| InChIK | MUJUYTNTZOBAEG-UHFFFAOYSA-N |
| TotalMolweight | 321.787 |
| Molweight | 321.787 |
| MonoisotopicMass | 321.033874 |
| CLogP | 2.7579 |
| CLogS | -4.234 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 241.32 |
| Relative PSA | 0.33512 |
| PolarSurfaceArea | 98.8 |
| Druglikeness | 7.0863 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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1 - N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide | 2 - N-[2-[(2Z)-2-[(3-chlorophenyl)methylidene]hydrazinyl]-2-oxoethyl]thiophene-2-carboxamide
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