(3E)-3-(pyridin-4-ylmethylidene)chromen-4-one
Formula:C15H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3E)-3-(pyridin-4-ylmethylidene)chromen-4-one is a drug-like molecule.
| MolName | (3E)-3-(pyridin-4-ylmethylidene)chromen-4-one |
| MolecularFormula | C15H11NO2 |
| Smiles | O=C1c(cccc2)c2OC/C1=C\c1ccncc1 |
| InChI | InChI=1S/C15H11NO2/c17-15-12(9-11-5-7-16-8-6-11)10-18-14-4-2-1-3-13(14)15/h1-9H,10H2 |
| InChIK | PDPGWJYXRSHTMG-UHFFFAOYSA-N |
| TotalMolweight | 237.257 |
| Molweight | 237.257 |
| MonoisotopicMass | 237.078979 |
| CLogP | 2.4229 |
| CLogS | -3.033 |
| H Acceptors | 3 |
| TotalSurfaceArea | 184.5 |
| Relative PSA | 0.18434 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | 0.3555 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 1 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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