[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-fluorobenzenesulfonate
Formula:C18H16N3O7FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-fluorobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-fluorobenzenesulfonate |
| MolecularFormula | C18H16N3O7FS |
| Smiles | [O-][N+](c1cc([N+]([O-])=O)c(C(CCCC2)/C2=N/OS(c(cc2)ccc2F)(=O)=O)cc1)=O |
| InChI | InChI=1S/C18H16FN3O7S/c19-12-5-8-14(9-6-12)30(27,28)29-20-17-4-2-1-3-15(17)16-10-7-13(21(23)24)11-18(16)22(25)26/h5-11,15H,1-4H2/t15-/m1/s1 |
| InChIK | DDBBQFDJELHDPN-OAHLLOKOSA-N |
| TotalMolweight | 437.403 |
| Molweight | 437.403 |
| MonoisotopicMass | 437.0693 |
| CLogP | 3.8953 |
| CLogS | -5.173 |
| H Acceptors | 10 |
| TotalSurfaceArea | 302.3 |
| Relative PSA | 0.36695 |
| PolarSurfaceArea | 155.75 |
| Druglikeness | -17.832 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 3 |
| AcidicOxygens | 2 |
| StereoCon | racemate |
Click to Load Molecule:
1 - [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-fluorobenzenesulfonate | 2 - [(E)-[2-(2,4-dinitrophenyl)cyclohexylidene]amino] 4-fluorobenzenesulfonate
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