3-(4-bromophenyl)-6-iodo-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
Formula:C20H12N2OBrIS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(4-bromophenyl)-6-iodo-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(4-bromophenyl)-6-iodo-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C20H12N2OBrIS |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2cccs2)N1c(cc1)ccc1Br |
| InChI | InChI=1S/C20H12BrIN2OS/c21-13-3-6-15(7-4-13)24-19(10-8-16-2-1-11-26-16)23-18-9-5-14(22)12-17(18)20(24)25/h1-12H |
| InChIK | ZOROETGWRPPVTF-UHFFFAOYSA-N |
| TotalMolweight | 535.198 |
| Molweight | 535.198 |
| MonoisotopicMass | 533.889842 |
| CLogP | 5.339 |
| CLogS | -6.918 |
| H Acceptors | 3 |
| TotalSurfaceArea | 297.65 |
| Relative PSA | 0.16281 |
| PolarSurfaceArea | 60.91 |
| Druglikeness | 2.384 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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