N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
Formula:C17H16N4O4F2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline is a drug-like molecule.
| MolName | N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline |
| MolecularFormula | C17H16N4O4F2S |
| Smiles | [O-][N+](c(cc(cc1)S(N2CCCC2)(=O)=O)c1N/N=C\c(ccc(F)c1)c1F)=O |
| InChI | InChI=1S/C17H16F2N4O4S/c18-13-4-3-12(15(19)9-13)11-20-21-16-6-5-14(10-17(16)23(24)25)28(26,27)22-7-1-2-8-22/h3-6,9-11,21H,1-2,7-8H2 |
| InChIK | GOIXSQXDCMBEER-UHFFFAOYSA-N |
| TotalMolweight | 410.4 |
| Molweight | 410.4 |
| MonoisotopicMass | 410.086032 |
| CLogP | 3.9857 |
| CLogS | -4.062 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 286.03 |
| Relative PSA | 0.29899 |
| PolarSurfaceArea | 115.97 |
| Druglikeness | -5.3759 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| 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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1 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline | 2 - N-[(Z)-(2,4-difluorophenyl)methylideneamino]-2-nitro-4-pyrrolidin-1-ylsulfonylaniline
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