2-[(E)-2-(furan-2-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one
Formula:C20H14N2O3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-2-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-2-yl)ethenyl]-3-(3-hydroxyphenyl)quinazolin-4-one |
| MolecularFormula | C20H14N2O3 |
| Smiles | Oc1cccc(N(C(/C=C/c2ccco2)=Nc2c3cccc2)C3=O)c1 |
| InChI | InChI=1S/C20H14N2O3/c23-15-6-3-5-14(13-15)22-19(11-10-16-7-4-12-25-16)21-18-9-2-1-8-17(18)20(22)24/h1-13,23H |
| InChIK | RCBPOGYSXOIFSO-UHFFFAOYSA-N |
| TotalMolweight | 330.342 |
| Molweight | 330.342 |
| MonoisotopicMass | 330.100443 |
| CLogP | 3.1531 |
| CLogS | -4.444 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 252.84 |
| Relative PSA | 0.21875 |
| PolarSurfaceArea | 66.04 |
| Druglikeness | 1.8476 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Amides | 1 |
| StereoCon |
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