3-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate
Formula:C13H10N3O3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
3-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate is a drug-like molecule.
| MolName | 3-[5-[(Z)-(carbamothioylhydrazinylidene)methyl]furan-2-yl]benzoate |
| MolecularFormula | C13H10N3O3S |
| Smiles | NC(N/N=C\c1ccc(-c2cc(C([O-])=O)ccc2)o1)=S |
| InChI | InChI=1S/C13H11N3O3S/c14-13(20)16-15-7-10-4-5-11(19-10)8-2-1-3-9(6-8)12(17)18/h1-7H,(H,17,18)(H3,14,16,20)/p-1 |
| InChIK | YAAQQGFFRHANNZ-UHFFFAOYSA-M |
| TotalMolweight | 288.306 |
| Molweight | 288.306 |
| MonoisotopicMass | 288.044287 |
| CLogP | -0.12 |
| CLogS | -4.371 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 225.44 |
| Relative PSA | 0.4776 |
| PolarSurfaceArea | 135.77 |
| Druglikeness | 4.6029 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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