2-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
Formula:C22H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one |
| MolecularFormula | C22H15N2O2Br |
| Smiles | Oc1cccc(N(C(/C=C/c2cccc(Br)c2)=Nc2c3cccc2)C3=O)c1 |
| InChI | InChI=1S/C22H15BrN2O2/c23-16-6-3-5-15(13-16)11-12-21-24-20-10-2-1-9-19(20)22(27)25(21)17-7-4-8-18(26)14-17/h1-14,26H |
| InChIK | AYBQAPJNOGFFDQ-UHFFFAOYSA-N |
| TotalMolweight | 419.277 |
| Molweight | 419.277 |
| MonoisotopicMass | 418.031689 |
| CLogP | 4.6896 |
| CLogS | -5.596 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 281.78 |
| Relative PSA | 0.14621 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | -0.033741 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44444 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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