3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C18H15N2O2I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(2-hydroxyethyl)-6-iodo-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C18H15N2O2I |
| Smiles | OCCN(C(/C=C/c1ccccc1)=Nc(cc1)c2cc1I)C2=O |
| InChI | InChI=1S/C18H15IN2O2/c19-14-7-8-16-15(12-14)18(23)21(10-11-22)17(20-16)9-6-13-4-2-1-3-5-13/h1-9,12,22H,10-11H2 |
| InChIK | URGLZTVNLSGVKG-UHFFFAOYSA-N |
| TotalMolweight | 418.229 |
| Molweight | 418.229 |
| MonoisotopicMass | 418.017826 |
| CLogP | 2.7316 |
| CLogS | -4.022 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 257.19 |
| Relative PSA | 0.16019 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | 3.7166 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| 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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