8-bromo-2-phenyl-4-[(E)-2-phenylethenyl]pyrrolo[3,4-c]quinoline-1,3-dione
Formula:C25H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
8-bromo-2-phenyl-4-[(E)-2-phenylethenyl]pyrrolo[3,4-c]quinoline-1,3-dione is not a drug-like molecule.
| MolName | 8-bromo-2-phenyl-4-[(E)-2-phenylethenyl]pyrrolo[3,4-c]quinoline-1,3-dione |
| MolecularFormula | C25H15N2O2Br |
| Smiles | O=C(c1c(/C=C/c2ccccc2)nc(ccc(Br)c2)c2c1C1=O)N1c1ccccc1 |
| InChI | InChI=1S/C25H15BrN2O2/c26-17-12-14-20-19(15-17)22-23(21(27-20)13-11-16-7-3-1-4-8-16)25(30)28(24(22)29)18-9-5-2-6-10-18/h1-15H |
| InChIK | QQLGNDUQDCQUHA-UHFFFAOYSA-N |
| TotalMolweight | 455.31 |
| Molweight | 455.31 |
| MonoisotopicMass | 454.031689 |
| CLogP | 5.791 |
| CLogS | -7.17 |
| H Acceptors | 4 |
| TotalSurfaceArea | 303.57 |
| Relative PSA | 0.13374 |
| PolarSurfaceArea | 50.27 |
| Druglikeness | -0.25159 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Symmetricatoms | 4 |
| Amides | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - 8-bromo-2-phenyl-4-[(E)-2-phenylethenyl]pyrrolo[3,4-c]quinoline-1,3-dione | 2 - 8-bromo-2-phenyl-4-[(E)-2-phenylethenyl]pyrrolo[3,4-c]quinoline-1,3-dione
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