3-(2-chlorophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
Formula:C22H15N2OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one |
| MolecularFormula | C22H15N2OCl |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2ccccc2)N1c(cccc1)c1Cl |
| InChI | InChI=1S/C22H15ClN2O/c23-18-11-5-7-13-20(18)25-21(15-14-16-8-2-1-3-9-16)24-19-12-6-4-10-17(19)22(25)26/h1-15H |
| InChIK | UFJKNEZTEYLERH-UHFFFAOYSA-N |
| TotalMolweight | 358.827 |
| Molweight | 358.827 |
| MonoisotopicMass | 358.08729 |
| CLogP | 4.9161 |
| CLogS | -5.794 |
| H Acceptors | 3 |
| TotalSurfaceArea | 272.22 |
| Relative PSA | 0.10323 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.8086 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.46154 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon |
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