2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
Formula:C26H16N2OCl2
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one is not a drug-like molecule.
| MolName | 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one |
| MolecularFormula | C26H16N2OCl2 |
| Smiles | O=C(c(cccc1)c1N=C1/C=C/c(ccc(Cl)c2)c2Cl)N1c1cc2ccccc2cc1 |
| InChI | InChI=1S/C26H16Cl2N2O/c27-20-12-9-18(23(28)16-20)11-14-25-29-24-8-4-3-7-22(24)26(31)30(25)21-13-10-17-5-1-2-6-19(17)15-21/h1-16H |
| InChIK | MZWMTCMNWZBCGV-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 | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48387 |
| 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 - 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one | 2 - 2-[(E)-2-(2,4-dichlorophenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
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