2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one
Formula:C18H15N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(4-bromophenyl)ethenyl]-3-(2-hydroxyethyl)quinazolin-4-one |
| MolecularFormula | C18H15N2O2Br |
| Smiles | OCCN(C(/C=C/c(cc1)ccc1Br)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C18H15BrN2O2/c19-14-8-5-13(6-9-14)7-10-17-20-16-4-2-1-3-15(16)18(23)21(17)11-12-22/h1-10,22H,11-12H2 |
| InChIK | IDEQBBCKWHSRNQ-UHFFFAOYSA-N |
| TotalMolweight | 371.233 |
| Molweight | 371.233 |
| MonoisotopicMass | 370.031689 |
| CLogP | 3.0197 |
| CLogS | -3.84 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 249.54 |
| Relative PSA | 0.1651 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 1.4456 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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