5-[(E)-2-(furan-2-yl)ethenyl]-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
Formula:C17H15NO3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
5-[(E)-2-(furan-2-yl)ethenyl]-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one is a drug-like molecule.
| MolName | 5-[(E)-2-(furan-2-yl)ethenyl]-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one |
| MolecularFormula | C17H15NO3S |
| Smiles | O=C1OC(/C=C/c2ccco2)=Nc2c1c(CCCCC1)c1s2 |
| InChI | InChI=1S/C17H15NO3S/c19-17-15-12-6-2-1-3-7-13(12)22-16(15)18-14(21-17)9-8-11-5-4-10-20-11/h4-5,8-10H,1-3,6-7H2 |
| InChIK | ZNNZGJIDTGVHNZ-UHFFFAOYSA-N |
| TotalMolweight | 313.376 |
| Molweight | 313.376 |
| MonoisotopicMass | 313.077264 |
| CLogP | 3.4492 |
| CLogS | -4.915 |
| H Acceptors | 4 |
| TotalSurfaceArea | 237.67 |
| Relative PSA | 0.2904 |
| PolarSurfaceArea | 80.04 |
| Druglikeness | -2.6737 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 2 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 6 |
| StereoCon |
Click to Load Molecule:
1 - 5-[(E)-2-(furan-2-yl)ethenyl]-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one | 2 - 5-[(E)-2-(furan-2-yl)ethenyl]-4-oxa-8-thia-6-azatricyclo[7.5.0.02,7]tetradeca-1(9),2(7),5-trien-3-one
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