N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide
Formula:C18H17N4O5ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-3-pyrrolidin-1-ylsulfonylbenzamide |
| MolecularFormula | C18H17N4O5ClS |
| Smiles | [O-][N+](c(cc(/C=N\NC(c1cc(S(N2CCCC2)(=O)=O)ccc1)=O)cc1)c1Cl)=O |
| InChI | InChI=1S/C18H17ClN4O5S/c19-16-7-6-13(10-17(16)23(25)26)12-20-21-18(24)14-4-3-5-15(11-14)29(27,28)22-8-1-2-9-22/h3-7,10-12H,1-2,8-9H2,(H,21,24) |
| InChIK | MBBBZXYNCAWQQD-UHFFFAOYSA-N |
| TotalMolweight | 436.875 |
| Molweight | 436.875 |
| MonoisotopicMass | 436.060818 |
| CLogP | 2.7508 |
| CLogS | -4.742 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 306.5 |
| Relative PSA | 0.32157 |
| PolarSurfaceArea | 133.04 |
| Druglikeness | -6.698 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| 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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