1-benzhydryl-4-(nitrosomethylidene)pyridine
Formula:C19H16N2O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-benzhydryl-4-(nitrosomethylidene)pyridine is a drug-like molecule.
| MolName | 1-benzhydryl-4-(nitrosomethylidene)pyridine |
| MolecularFormula | C19H16N2O |
| Smiles | O=NC=C1C=CN(C(c2ccccc2)c2ccccc2)C=C1 |
| InChI | InChI=1S/C19H16N2O/c22-20-15-16-11-13-21(14-12-16)19(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-15,19H |
| InChIK | UQCHTGZOIRUIQW-UHFFFAOYSA-N |
| TotalMolweight | 288.349 |
| Molweight | 288.349 |
| MonoisotopicMass | 288.126263 |
| CLogP | 2.5818 |
| CLogS | -3.774 |
| H Acceptors | 3 |
| TotalSurfaceArea | 237.83 |
| Relative PSA | 0.11815 |
| PolarSurfaceArea | 32.67 |
| Druglikeness | -0.20326 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.54545 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 10 |
| BasicNitrogens | 1 |
| StereoCon |
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