1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]quinolin-4-imine
Formula:C19H18N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]quinolin-4-imine is a drug-like molecule.
| MolName | 1-[(E)-4-[4-(nitrosomethylidene)pyridin-1-yl]but-2-enyl]quinolin-4-imine |
| MolecularFormula | C19H18N4O |
| Smiles | N=C1c(cccc2)c2N(C/C=C/CN(C=C2)C=CC2=CN=O)C=C1 |
| InChI | InChI=1S/C19H18N4O/c20-18-9-14-23(19-6-2-1-5-17(18)19)11-4-3-10-22-12-7-16(8-13-22)15-21-24/h1-9,12-15,20H,10-11H2 |
| InChIK | LAROJPYFOGYZEQ-UHFFFAOYSA-N |
| TotalMolweight | 318.379 |
| Molweight | 318.379 |
| MonoisotopicMass | 318.148061 |
| CLogP | 0.758 |
| CLogS | -2.975 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 263.2 |
| Relative PSA | 0.17952 |
| PolarSurfaceArea | 59.76 |
| Druglikeness | 0.93 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | nitroso |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 2 |
| StereoCon |
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