6-iodo-3-naphthalen-2-yl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one
Formula:C24H15N2OIS
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
6-iodo-3-naphthalen-2-yl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one is not a drug-like molecule.
| MolName | 6-iodo-3-naphthalen-2-yl-2-[(E)-2-thiophen-2-ylethenyl]quinazolin-4-one |
| MolecularFormula | C24H15N2OIS |
| Smiles | O=C(c(cc(cc1)I)c1N=C1/C=C/c2cccs2)N1c1cc2ccccc2cc1 |
| InChI | InChI=1S/C24H15IN2OS/c25-18-8-11-22-21(15-18)24(28)27(23(26-22)12-10-20-6-3-13-29-20)19-9-7-16-4-1-2-5-17(16)14-19/h1-15H |
| InChIK | JZIHWOOYKFHGBT-UHFFFAOYSA-N |
| TotalMolweight | 506.362 |
| Molweight | 506.362 |
| MonoisotopicMass | 505.994981 |
| CLogP | 5.8082 |
| CLogS | -7.69 |
| H Acceptors | 3 |
| TotalSurfaceArea | 313.62 |
| Relative PSA | 0.15452 |
| PolarSurfaceArea | 60.91 |
| Druglikeness | 4.174 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Amides | 1 |
| StereoCon |
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