2-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one
Formula:C22H13N2OBrClI
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one |
| MolecularFormula | C22H13N2OBrClI |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c(cc2)ccc2Br)N1c(cc1)ccc1Cl |
| InChI | InChI=1S/C22H13BrClIN2O/c23-15-4-1-14(2-5-15)3-12-21-26-20-11-8-17(25)13-19(20)22(28)27(21)18-9-6-16(24)7-10-18/h1-13H |
| InChIK | PENHEODOXUIYQI-UHFFFAOYSA-N |
| TotalMolweight | 563.615 |
| Molweight | 563.615 |
| MonoisotopicMass | 561.894449 |
| CLogP | 6.0784 |
| CLogS | -7.644 |
| H Acceptors | 3 |
| TotalSurfaceArea | 317.13 |
| Relative PSA | 0.088607 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 0.57131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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