(NZ)-N-(1,4-dioxa-7lambda4-thiaspiro[4.4]nonan-7-ylidene)-3,5-bis(trifluoromethyl)benzenesulfonamide
Formula:C14H13NO4F6S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(NZ)-N-(1,4-dioxa-7lambda4-thiaspiro[4.4]nonan-7-ylidene)-3,5-bis(trifluoromethyl)benzenesulfonamide is a drug-like molecule.
| MolName | (NZ)-N-(1,4-dioxa-7lambda4-thiaspiro[4.4]nonan-7-ylidene)-3,5-bis(trifluoromethyl)benzenesulfonamide |
| MolecularFormula | C14H13NO4F6S2 |
| Smiles | O=S(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)(/N=S(/CC1)\CC11OCCO1)=O |
| InChI | InChI=1S/C14H15F6NO4S2/c15-13(16,17)9-5-10(14(18,19)20)7-11(6-9)27(22,23)21-26-4-1-12(8-26)24-2-3-25-12/h5-7H,1-4,8,26H2 |
| InChIK | YNVDEYRZAZBYFR-UHFFFAOYSA-N |
| TotalMolweight | 437.38 |
| Molweight | 437.38 |
| MonoisotopicMass | 437.019017 |
| CLogP | 1.7103 |
| CLogS | -2.114 |
| H Acceptors | 5 |
| TotalSurfaceArea | 260.91 |
| Relative PSA | 0.26741 |
| PolarSurfaceArea | 92.55 |
| Druglikeness | -28.089 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| StereoCenters | 1 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 12 |
| Symmetricatoms | 11 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (NZ)-N-(1,4-dioxa-7lambda4-thiaspiro[4.4]nonan-7-ylidene)-3,5-bis(trifluoromethyl)benzenesulfonamide | 2 - (NZ)-N-(1,4-dioxa-7lambda4-thiaspiro[4.4]nonan-7-ylidene)-3,5-bis(trifluoromethyl)benzenesulfonamide
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