4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C15H12N4O6F4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C15H12N4O6F4S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(ccc(OC(F)F)c1)c1OC(F)F)(=O)=O |
| InChI | InChI=1S/C15H12F4N4O6S/c16-14(17)28-9-2-1-8(13(5-9)29-15(18)19)7-21-22-11-4-3-10(30(20,26)27)6-12(11)23(24)25/h1-7,14-15,22H,(H2,20,26,27) |
| InChIK | BKVIRSYZDWUULO-UHFFFAOYSA-N |
| TotalMolweight | 452.34 |
| Molweight | 452.34 |
| MonoisotopicMass | 452.041368 |
| CLogP | 3.0221 |
| CLogS | -4.752 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 300.41 |
| Relative PSA | 0.39027 |
| PolarSurfaceArea | 157.21 |
| Druglikeness | -8.4301 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 9 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-[[2,4-bis(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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