4-[[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]amino]benzenesulfonyl fluoride
Formula:C14H12N5O6FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]amino]benzenesulfonyl fluoride is not a drug-like molecule.
| MolName | 4-[[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]amino]benzenesulfonyl fluoride |
| MolecularFormula | C14H12N5O6FS |
| Smiles | [O-][N+](c(cc1)cc([N+]([O-])=O)c1N/N=C\CNc(cc1)ccc1S(F)(=O)=O)=O |
| InChI | InChI=1S/C14H12FN5O6S/c15-27(25,26)12-4-1-10(2-5-12)16-7-8-17-18-13-6-3-11(19(21)22)9-14(13)20(23)24/h1-6,8-9,16,18H,7H2 |
| InChIK | UIZLBWWJGIEYJS-UHFFFAOYSA-N |
| TotalMolweight | 397.342 |
| Molweight | 397.342 |
| MonoisotopicMass | 397.049233 |
| CLogP | 2.0564 |
| CLogS | -2.228 |
| H Acceptors | 11 |
| H Donors | 2 |
| TotalSurfaceArea | 276.73 |
| Relative PSA | 0.44755 |
| PolarSurfaceArea | 170.58 |
| Druglikeness | -11.732 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-halogenide type; aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| Rotatable Bond | 8 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 2 |
| StereoCon |
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1 - 4-[[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]amino]benzenesulfonyl fluoride | 2 - 4-[[(2Z)-2-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]amino]benzenesulfonyl fluoride
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