3-(2,4-dichlorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one
Formula:C26H16N2OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
3-(2,4-dichlorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 3-(2,4-dichlorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one |
| MolecularFormula | C26H16N2OCl2 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c2cccc3ccccc23)N1c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C26H16Cl2N2O/c27-19-13-14-24(22(28)16-19)30-25(29-23-11-4-3-10-21(23)26(30)31)15-12-18-8-5-7-17-6-1-2-9-20(17)18/h1-16H |
| InChIK | JPMVAMCCOGHDOB-UHFFFAOYSA-N |
| TotalMolweight | 443.332 |
| Molweight | 443.332 |
| MonoisotopicMass | 442.063967 |
| CLogP | 6.7165 |
| CLogS | -8.136 |
| H Acceptors | 3 |
| TotalSurfaceArea | 322.24 |
| Relative PSA | 0.087202 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | 1.8086 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.45161 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Amides | 1 |
| StereoCon |
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1 - 3-(2,4-dichlorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one | 2 - 3-(2,4-dichlorophenyl)-2-[(E)-2-naphthalen-1-ylethenyl]quinazolin-4-one
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