6-iodo-3-naphthalen-1-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one
Formula:C24H14N3O4I
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
6-iodo-3-naphthalen-1-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 6-iodo-3-naphthalen-1-yl-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinazolin-4-one |
| MolecularFormula | C24H14N3O4I |
| Smiles | [O-][N+](c1ccc(/C=C/C(N2c3cccc4ccccc34)=Nc(ccc(I)c3)c3C2=O)o1)=O |
| InChI | InChI=1S/C24H14IN3O4/c25-16-8-11-20-19(14-16)24(29)27(21-7-3-5-15-4-1-2-6-18(15)21)22(26-20)12-9-17-10-13-23(32-17)28(30)31/h1-14H |
| InChIK | JJFCGVVQZWWAOK-UHFFFAOYSA-N |
| TotalMolweight | 535.292 |
| Molweight | 535.292 |
| MonoisotopicMass | 535.002905 |
| CLogP | 4.5601 |
| CLogS | -8.347 |
| H Acceptors | 7 |
| TotalSurfaceArea | 331.04 |
| Relative PSA | 0.2194 |
| PolarSurfaceArea | 91.63 |
| Druglikeness | -0.61 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.4375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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