2-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one
Formula:C19H17N2O2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one is a drug-like molecule.
| MolName | 2-[(E)-2-(3-bromophenyl)ethenyl]-3-(3-hydroxypropyl)quinazolin-4-one |
| MolecularFormula | C19H17N2O2Br |
| Smiles | OCCCN(C(/C=C/c1cccc(Br)c1)=Nc1c2cccc1)C2=O |
| InChI | InChI=1S/C19H17BrN2O2/c20-15-6-3-5-14(13-15)9-10-18-21-17-8-2-1-7-16(17)19(24)22(18)11-4-12-23/h1-3,5-10,13,23H,4,11-12H2 |
| InChIK | HYQCLXGGBQVKGT-UHFFFAOYSA-N |
| TotalMolweight | 385.26 |
| Molweight | 385.26 |
| MonoisotopicMass | 384.047339 |
| CLogP | 3.4741 |
| CLogS | -4.11 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 263.3 |
| Relative PSA | 0.15648 |
| PolarSurfaceArea | 52.9 |
| Druglikeness | -0.40405 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Amides | 1 |
| StereoCon |
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