3-(2-chlorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
Formula:C20H13N2OClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-(2-chlorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one is a drug-like molecule.
| MolName | 3-(2-chlorophenyl)-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C20H13N2OClS |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cccs2)N1c(cccc1)c1Cl |
| InChI | InChI=1S/C20H13ClN2OS/c21-16-8-2-4-10-18(16)23-19(12-11-14-6-5-13-25-14)22-17-9-3-1-7-15(17)20(23)24/h1-13H |
| InChIK | IHWAYHZZOHDNDZ-UHFFFAOYSA-N |
| TotalMolweight | 364.855 |
| Molweight | 364.855 |
| MonoisotopicMass | 364.04371 |
| CLogP | 4.7827 |
| CLogS | -5.804 |
| H Acceptors | 3 |
| TotalSurfaceArea | 268.16 |
| Relative PSA | 0.18071 |
| PolarSurfaceArea | 60.91 |
| Druglikeness | 3.7624 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| 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 |
| Amides | 1 |
| StereoCon |
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