(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide
Formula:C14H11N3O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide is a drug-like molecule.
| MolName | (E)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enethioamide |
| MolecularFormula | C14H11N3O3S2 |
| Smiles | NC(/C(/C#N)=C/c1ccc(-c(cc2)ccc2S(N)(=O)=O)o1)=S |
| InChI | InChI=1S/C14H11N3O3S2/c15-8-10(14(16)21)7-11-3-6-13(20-11)9-1-4-12(5-2-9)22(17,18)19/h1-7H,(H2,16,21)(H2,17,18,19) |
| InChIK | LPTDKZFNDFNCOR-UHFFFAOYSA-N |
| TotalMolweight | 333.391 |
| Molweight | 333.391 |
| MonoisotopicMass | 333.024182 |
| CLogP | 1.104 |
| CLogS | -4.643 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 247.46 |
| Relative PSA | 0.46387 |
| PolarSurfaceArea | 163.58 |
| Druglikeness | -1.4363 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; thio-amide/urea |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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