(E)-3-(3-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide
Formula:C19H19N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(3-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide is a drug-like molecule.
| MolName | (E)-3-(3-nitrophenyl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)prop-2-enamide |
| MolecularFormula | C19H19N3O5S |
| Smiles | [O-][N+](c1cccc(/C=C/C(Nc(cc2)ccc2S(N2CCCC2)(=O)=O)=O)c1)=O |
| InChI | InChI=1S/C19H19N3O5S/c23-19(11-6-15-4-3-5-17(14-15)22(24)25)20-16-7-9-18(10-8-16)28(26,27)21-12-1-2-13-21/h3-11,14H,1-2,12-13H2,(H,20,23) |
| InChIK | FJYPYPAEHFGGHR-UHFFFAOYSA-N |
| TotalMolweight | 401.442 |
| Molweight | 401.442 |
| MonoisotopicMass | 401.104542 |
| CLogP | 2.0795 |
| CLogS | -3.783 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 292.82 |
| Relative PSA | 0.29728 |
| PolarSurfaceArea | 120.68 |
| Druglikeness | -1.6428 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.60714 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 5 |
| Amides | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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