(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
Formula:C16H16N2O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide |
| MolecularFormula | C16H16N2O4S |
| Smiles | [O-][N+](c1cccc(/C=C/C(NCCSCc2ccco2)=O)c1)=O |
| InChI | InChI=1S/C16H16N2O4S/c19-16(17-8-10-23-12-15-5-2-9-22-15)7-6-13-3-1-4-14(11-13)18(20)21/h1-7,9,11H,8,10,12H2,(H,17,19) |
| InChIK | VXGDVBLSZVOUJJ-UHFFFAOYSA-N |
| TotalMolweight | 332.379 |
| Molweight | 332.379 |
| MonoisotopicMass | 332.083078 |
| CLogP | 1.7344 |
| CLogS | -4.389 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 260.86 |
| Relative PSA | 0.33167 |
| PolarSurfaceArea | 113.36 |
| Druglikeness | -4.3148 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.69565 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 5 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide | 2 - (E)-N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3-(3-nitrophenyl)prop-2-enamide
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