6-iodo-3-naphthalen-2-yl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one
Formula:C26H16N3O3I
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
6-iodo-3-naphthalen-2-yl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 6-iodo-3-naphthalen-2-yl-2-[(E)-2-(3-nitrophenyl)ethenyl]quinazolin-4-one |
| MolecularFormula | C26H16N3O3I |
| Smiles | [O-][N+](c1cccc(/C=C/C(N2c3cc4ccccc4cc3)=Nc(ccc(I)c3)c3C2=O)c1)=O |
| InChI | InChI=1S/C26H16IN3O3/c27-20-10-12-24-23(16-20)26(31)29(21-11-9-18-5-1-2-6-19(18)15-21)25(28-24)13-8-17-4-3-7-22(14-17)30(32)33/h1-16H |
| InChIK | UZQGVQQLMARBMI-UHFFFAOYSA-N |
| TotalMolweight | 545.331 |
| Molweight | 545.331 |
| MonoisotopicMass | 545.02364 |
| CLogP | 5.02 |
| CLogS | -8.14 |
| H Acceptors | 6 |
| TotalSurfaceArea | 341.35 |
| Relative PSA | 0.17144 |
| PolarSurfaceArea | 78.49 |
| Druglikeness | -2.8051 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.45455 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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