(3Z)-5-(4-bromophenyl)-3-(pyridin-4-ylmethylidene)furan-2-one
Formula:C16H10NO2Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(3Z)-5-(4-bromophenyl)-3-(pyridin-4-ylmethylidene)furan-2-one is a drug-like molecule.
| MolName | (3Z)-5-(4-bromophenyl)-3-(pyridin-4-ylmethylidene)furan-2-one |
| MolecularFormula | C16H10NO2Br |
| Smiles | O=C1OC(c(cc2)ccc2Br)=C/C1=C/c1ccncc1 |
| InChI | InChI=1S/C16H10BrNO2/c17-14-3-1-12(2-4-14)15-10-13(16(19)20-15)9-11-5-7-18-8-6-11/h1-10H |
| InChIK | HHFNRSSLJAWRIT-UHFFFAOYSA-N |
| TotalMolweight | 328.164 |
| Molweight | 328.164 |
| MonoisotopicMass | 326.98949 |
| CLogP | 3.1475 |
| CLogS | -3.716 |
| H Acceptors | 3 |
| TotalSurfaceArea | 214.08 |
| Relative PSA | 0.15887 |
| PolarSurfaceArea | 39.19 |
| Druglikeness | -1.7453 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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