N-[(Z)-(3-fluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
Formula:C17H17N4O4FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(3-fluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline is a drug-like molecule.
| MolName | N-[(Z)-(3-fluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline |
| MolecularFormula | C17H17N4O4FS |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCCC2)(=O)=O)c1N/N=C\c1cc(F)ccc1)=O |
| InChI | InChI=1S/C17H17FN4O4S/c18-14-5-3-4-13(10-14)12-19-20-16-7-6-15(11-17(16)22(23)24)27(25,26)21-8-1-2-9-21/h3-7,10-12,20H,1-2,8-9H2 |
| InChIK | NKJFUHOVQWHSHQ-UHFFFAOYSA-N |
| TotalMolweight | 392.41 |
| Molweight | 392.41 |
| MonoisotopicMass | 392.095454 |
| CLogP | 3.8849 |
| CLogS | -3.748 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 279.68 |
| Relative PSA | 0.30578 |
| PolarSurfaceArea | 115.97 |
| Druglikeness | -6.6432 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.55556 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 3 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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