(E)-(4-bromophenyl)-[2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
Formula:C24H24N2O4Br2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(E)-(4-bromophenyl)-[2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate is not a drug-like molecule.
| MolName | (E)-(4-bromophenyl)-[2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate |
| MolecularFormula | C24H24N2O4Br2 |
| Smiles | [O-]/C(/c(cc1)ccc1Br)=C(\C(c1cccc(Br)c1)N(CCC[NH+]1CCOCC1)C1=O)/C1=O |
| InChI | InChI=1S/C24H24Br2N2O4/c25-18-7-5-16(6-8-18)22(29)20-21(17-3-1-4-19(26)15-17)28(24(31)23(20)30)10-2-9-27-11-13-32-14-12-27/h1,3-8,15,21,29H,2,9-14H2/t21-/m1/s1 |
| InChIK | KSEJRNFGWCXTMX-OAQYLSRUSA-N |
| TotalMolweight | 564.273 |
| Molweight | 564.273 |
| MonoisotopicMass | 562.01028 |
| CLogP | -0.673 |
| CLogS | -3.576 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 362.69 |
| Relative PSA | 0.19714 |
| PolarSurfaceArea | 74.11 |
| Druglikeness | -3.1858 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| StereoCenters | 1 |
| Rotatable Bond | 6 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 11 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - (E)-(4-bromophenyl)-[2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate | 2 - (E)-(4-bromophenyl)-[2-(3-bromophenyl)-1-(3-morpholin-4-ium-4-ylpropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate
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