[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
Formula:C18H13N3O6S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(carbamothioylhydrazinylidene)methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-[(Z)-(carbamothioylhydrazinylidene)methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate |
| MolecularFormula | C18H13N3O6S |
| Smiles | NC(N/N=C\c(ccc(OC(c1ccco1)=O)c1)c1OC(c1ccco1)=O)=S |
| InChI | InChI=1S/C18H13N3O6S/c19-18(28)21-20-10-11-5-6-12(26-16(22)13-3-1-7-24-13)9-15(11)27-17(23)14-4-2-8-25-14/h1-10H,(H3,19,21,28) |
| InChIK | XHCOTXYPXKEMKB-UHFFFAOYSA-N |
| TotalMolweight | 399.382 |
| Molweight | 399.382 |
| MonoisotopicMass | 399.052507 |
| CLogP | 2.7704 |
| CLogS | -5.202 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 305.11 |
| Relative PSA | 0.46062 |
| PolarSurfaceArea | 161.38 |
| Druglikeness | 2.4363 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| StereoCon |
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1 - [4-[(Z)-(carbamothioylhydrazinylidene)methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate | 2 - [4-[(Z)-(carbamothioylhydrazinylidene)methyl]-3-(furan-2-carbonyloxy)phenyl] furan-2-carboxylate
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