2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one
Formula:C22H15N2O2Cl
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(2-chlorophenyl)ethenyl]-3-(2-hydroxyphenyl)quinazolin-4-one |
| MolecularFormula | C22H15N2O2Cl |
| Smiles | Oc(cccc1)c1N(C(/C=C/c(cccc1)c1Cl)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C22H15ClN2O2/c23-17-9-3-1-7-15(17)13-14-21-24-18-10-4-2-8-16(18)22(27)25(21)19-11-5-6-12-20(19)26/h1-14,26H |
| InChIK | UYTXUVRJZNSTPB-UHFFFAOYSA-N |
| TotalMolweight | 374.826 |
| Molweight | 374.826 |
| MonoisotopicMass | 374.082205 |
| CLogP | 4.5704 |
| CLogS | -5.498 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 278.57 |
| Relative PSA | 0.1479 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 1.8214 |
| Mutagenic | none |
| Tumorigenic | high |
| 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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