[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea
Formula:C12H12N4O3S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[5-(4-sulfamoylphenyl)furan-2-yl]methylideneamino]thiourea |
| MolecularFormula | C12H12N4O3S2 |
| Smiles | NC(N/N=C\c1ccc(-c(cc2)ccc2S(N)(=O)=O)o1)=S |
| InChI | InChI=1S/C12H12N4O3S2/c13-12(20)16-15-7-9-3-6-11(19-9)8-1-4-10(5-2-8)21(14,17)18/h1-7H,(H3,13,16,20)(H2,14,17,18) |
| InChIK | LOFGZGVYCFBPQV-UHFFFAOYSA-N |
| TotalMolweight | 324.384 |
| Molweight | 324.384 |
| MonoisotopicMass | 324.035081 |
| CLogP | 1.2349 |
| CLogS | -4.257 |
| H Acceptors | 7 |
| H Donors | 3 |
| TotalSurfaceArea | 237.26 |
| Relative PSA | 0.52348 |
| PolarSurfaceArea | 164.18 |
| Druglikeness | 6.0055 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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