N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide
Formula:C20H14N7O4ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide is not a drug-like molecule.
| MolName | N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide |
| MolecularFormula | C20H14N7O4ClS |
| Smiles | [O-][N+](c(cc1)cc(Cl)c1-c1ccc(/C=N\NC(CSn2nnnc2-c2ccccc2)=O)o1)=O |
| InChI | InChI=1S/C20H14ClN7O4S/c21-17-10-14(28(30)31)6-8-16(17)18-9-7-15(32-18)11-22-23-19(29)12-33-27-20(24-25-26-27)13-4-2-1-3-5-13/h1-11H,12H2,(H,23,29) |
| InChIK | WVUKENZRSBIILR-UHFFFAOYSA-N |
| TotalMolweight | 483.895 |
| Molweight | 483.895 |
| MonoisotopicMass | 483.05165 |
| CLogP | 3.0629 |
| CLogS | -7.718 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 352.02 |
| Relative PSA | 0.39148 |
| PolarSurfaceArea | 169.32 |
| Druglikeness | 0.3469 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide | 2 - N-[(Z)-[5-(2-chloro-4-nitrophenyl)furan-2-yl]methylideneamino]-2-(5-phenyltetrazol-1-yl)sulfanylacetamide
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