2-[4-(nitrosomethylidene)pyridin-1-yl]-1-[4-[4-[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]phenyl]phenyl]ethanone
Formula:C28H22N4O4
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
2-[4-(nitrosomethylidene)pyridin-1-yl]-1-[4-[4-[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]phenyl]phenyl]ethanone is a drug-like molecule.
| MolName | 2-[4-(nitrosomethylidene)pyridin-1-yl]-1-[4-[4-[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]phenyl]phenyl]ethanone |
| MolecularFormula | C28H22N4O4 |
| Smiles | O=C(CN(C=C1)C=CC1=CN=O)c(cc1)ccc1-c(cc1)ccc1C(CN(C=C1)C=CC1=CN=O)=O |
| InChI | InChI=1S/C28H22N4O4/c33-27(19-31-13-9-21(10-14-31)17-29-35)25-5-1-23(2-6-25)24-3-7-26(8-4-24)28(34)20-32-15-11-22(12-16-32)18-30-36/h1-18H,19-20H2 |
| InChIK | VWGTWWMYOCHEKF-UHFFFAOYSA-N |
| TotalMolweight | 478.507 |
| Molweight | 478.507 |
| MonoisotopicMass | 478.164106 |
| CLogP | 0.8152 |
| CLogS | -6.084 |
| H Acceptors | 8 |
| TotalSurfaceArea | 380.66 |
| Relative PSA | 0.21615 |
| PolarSurfaceArea | 99.48 |
| Druglikeness | 1.4725 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.72222 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 22 |
| BasicNitrogens | 2 |
| StereoCon |
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1 - 2-[4-(nitrosomethylidene)pyridin-1-yl]-1-[4-[4-[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]phenyl]phenyl]ethanone | 2 - 2-[4-(nitrosomethylidene)pyridin-1-yl]-1-[4-[4-[2-[4-(nitrosomethylidene)pyridin-1-yl]acetyl]phenyl]phenyl]ethanone
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