N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide
Formula:C15H11N3O6F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | N-[(Z)-[2,4-bis(difluoromethoxy)phenyl]methylideneamino]-3-nitrobenzenesulfonamide |
| MolecularFormula | C15H11N3O6F4S |
| Smiles | [O-][N+](c1cccc(S(N/N=C\c(ccc(OC(F)F)c2)c2OC(F)F)(=O)=O)c1)=O |
| InChI | InChI=1S/C15H11F4N3O6S/c16-14(17)27-11-5-4-9(13(7-11)28-15(18)19)8-20-21-29(25,26)12-3-1-2-10(6-12)22(23)24/h1-8,14-15,21H |
| InChIK | CIGQHRJLKZXESU-UHFFFAOYSA-N |
| TotalMolweight | 437.325 |
| Molweight | 437.325 |
| MonoisotopicMass | 437.030469 |
| CLogP | 1.6943 |
| CLogS | -3.62 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 291.89 |
| Relative PSA | 0.34934 |
| PolarSurfaceArea | 131.19 |
| Druglikeness | -10.548 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 14 |
| Electronegative Atoms | 14 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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