1-cyclohexyl-3-(4-nitroanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione
Formula:C24H25N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
1-cyclohexyl-3-(4-nitroanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione is a drug-like molecule.
| MolName | 1-cyclohexyl-3-(4-nitroanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione |
| MolecularFormula | C24H25N3O4 |
| Smiles | [O-][N+](c(cc1)ccc1NC(CC(N1C2CCCCC2)=O)(/C=C/c2ccccc2)C1=O)=O |
| InChI | InChI=1S/C24H25N3O4/c28-22-17-24(16-15-18-7-3-1-4-8-18,23(29)26(22)20-9-5-2-6-10-20)25-19-11-13-21(14-12-19)27(30)31/h1,3-4,7-8,11-16,20,25H,2,5-6,9-10,17H2/t24-/m1/s1 |
| InChIK | XPRNRZUXCBVSGK-XMMPIXPASA-N |
| TotalMolweight | 419.48 |
| Molweight | 419.48 |
| MonoisotopicMass | 419.184507 |
| CLogP | 3.0384 |
| CLogS | -5.24 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 318.92 |
| Relative PSA | 0.22423 |
| PolarSurfaceArea | 95.23 |
| Druglikeness | -6.9066 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 9 |
| Symmetricatoms | 6 |
| Amides | 1 |
| Amines | 1 |
| Aromatic Amines | 1 |
| AcidicOxygens | 1 |
| StereoCon | racemate |
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1 - 1-cyclohexyl-3-(4-nitroanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione | 2 - 1-cyclohexyl-3-(4-nitroanilino)-3-[(E)-2-phenylethenyl]pyrrolidine-2,5-dione
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