(E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
Formula:C20H13N4O6ClS
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide |
| MolecularFormula | C20H13N4O6ClS |
| Smiles | NS(c(cc1)ccc1-c1ccc(/C=C(/C(Nc(ccc([N+]([O-])=O)c2)c2Cl)=O)\C#N)o1)(=O)=O |
| InChI | InChI=1S/C20H13ClN4O6S/c21-17-10-14(25(27)28)3-7-18(17)24-20(26)13(11-22)9-15-4-8-19(31-15)12-1-5-16(6-2-12)32(23,29)30/h1-10H,(H,24,26)(H2,23,29,30) |
| InChIK | WHRBJXFXKPSAMG-UHFFFAOYSA-N |
| TotalMolweight | 472.864 |
| Molweight | 472.864 |
| MonoisotopicMass | 472.024433 |
| CLogP | 2.3756 |
| CLogS | -6.325 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 334.29 |
| Relative PSA | 0.37823 |
| PolarSurfaceArea | 180.39 |
| Druglikeness | -5.0414 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | twice activated DB; aromatic nitro |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide | 2 - (E)-N-(2-chloro-4-nitrophenyl)-2-cyano-3-[5-(4-sulfamoylphenyl)furan-2-yl]prop-2-enamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off