(1-benzhydrylpyridin-4-ylidene)-nitrosomethanamine
Formula:C19H17N3O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(1-benzhydrylpyridin-4-ylidene)-nitrosomethanamine is a drug-like molecule.
| MolName | (1-benzhydrylpyridin-4-ylidene)-nitrosomethanamine |
| MolecularFormula | C19H17N3O |
| Smiles | NC(N=O)=C1C=CN(C(c2ccccc2)c2ccccc2)C=C1 |
| InChI | InChI=1S/C19H17N3O/c20-19(21-23)17-11-13-22(14-12-17)18(15-7-3-1-4-8-15)16-9-5-2-6-10-16/h1-14,18H,20H2 |
| InChIK | PMIJNVDDQZYSGK-UHFFFAOYSA-N |
| TotalMolweight | 303.364 |
| Molweight | 303.364 |
| MonoisotopicMass | 303.137162 |
| CLogP | 2.1873 |
| CLogS | -4.841 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 244.56 |
| Relative PSA | 0.17734 |
| PolarSurfaceArea | 58.69 |
| Druglikeness | 0.23318 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.52174 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 10 |
| BasicNitrogens | 2 |
| StereoCon |
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