4-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
Formula:C14H12N4O5F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide |
| MolecularFormula | C14H12N4O5F2S |
| Smiles | NS(c(cc1)cc([N+]([O-])=O)c1N/N=C\c(cc1)ccc1OC(F)F)(=O)=O |
| InChI | InChI=1S/C14H12F2N4O5S/c15-14(16)25-10-3-1-9(2-4-10)8-18-19-12-6-5-11(26(17,23)24)7-13(12)20(21)22/h1-8,14,19H,(H2,17,23,24) |
| InChIK | QJWQIVABSOFPOR-UHFFFAOYSA-N |
| TotalMolweight | 386.334 |
| Molweight | 386.334 |
| MonoisotopicMass | 386.049647 |
| CLogP | 2.8527 |
| CLogS | -4.13 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 265.21 |
| Relative PSA | 0.40436 |
| PolarSurfaceArea | 147.98 |
| Druglikeness | -6.6443 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide | 2 - 4-[(2Z)-2-[[4-(difluoromethoxy)phenyl]methylidene]hydrazinyl]-3-nitrobenzenesulfonamide
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