N-[(E)-(2-fluorophenyl)methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline
Formula:C18H19N4O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(E)-(2-fluorophenyl)methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline is a drug-like molecule.
| MolName | N-[(E)-(2-fluorophenyl)methylideneamino]-4-nitro-2-piperidin-1-ylsulfonylaniline |
| MolecularFormula | C18H19N4O4FS |
| Smiles | [O-][N+](c(cc1)cc(S(N2CCCCC2)(=O)=O)c1N/N=C/c(cccc1)c1F)=O |
| InChI | InChI=1S/C18H19FN4O4S/c19-16-7-3-2-6-14(16)13-20-21-17-9-8-15(23(24)25)12-18(17)28(26,27)22-10-4-1-5-11-22/h2-3,6-9,12-13,21H,1,4-5,10-11H2 |
| InChIK | WPROQWGHMLSDON-UHFFFAOYSA-N |
| TotalMolweight | 406.437 |
| Molweight | 406.437 |
| MonoisotopicMass | 406.111104 |
| CLogP | 4.2269 |
| CLogS | -4.018 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 293.44 |
| Relative PSA | 0.29144 |
| PolarSurfaceArea | 115.97 |
| Druglikeness | -5.7647 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 7 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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