(E)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide
Formula:C24H22N3O3F
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide is a drug-like molecule.
| MolName | (E)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide |
| MolecularFormula | C24H22N3O3F |
| Smiles | C=CCN(Cc1cccn1Cc1cccc(F)c1)C(/C=C/c(cc1)ccc1[N+]([O-])=O)=O |
| InChI | InChI=1S/C24H22FN3O3/c1-2-14-27(24(29)13-10-19-8-11-22(12-9-19)28(30)31)18-23-7-4-15-26(23)17-20-5-3-6-21(25)16-20/h2-13,15-16H,1,14,17-18H2 |
| InChIK | ZLPZENWJGRDKHP-UHFFFAOYSA-N |
| TotalMolweight | 419.455 |
| Molweight | 419.455 |
| MonoisotopicMass | 419.16452 |
| CLogP | 3.2334 |
| CLogS | -3.736 |
| H Acceptors | 6 |
| TotalSurfaceArea | 332.37 |
| Relative PSA | 0.16211 |
| PolarSurfaceArea | 71.06 |
| Druglikeness | -6.497 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.58065 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide | 2 - (E)-N-[[1-[(3-fluorophenyl)methyl]pyrrol-2-yl]methyl]-3-(4-nitrophenyl)-N-prop-2-enylprop-2-enamide
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