(4Z)-2-(2-bromophenyl)-4-(morpholin-4-ylmethylidene)-1,3-oxazol-5-one
Formula:C14H13N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(2-bromophenyl)-4-(morpholin-4-ylmethylidene)-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(2-bromophenyl)-4-(morpholin-4-ylmethylidene)-1,3-oxazol-5-one |
| MolecularFormula | C14H13N2O3Br |
| Smiles | O=C1OC(c(cccc2)c2Br)=N/C1=C\N1CCOCC1 |
| InChI | InChI=1S/C14H13BrN2O3/c15-11-4-2-1-3-10(11)13-16-12(14(18)20-13)9-17-5-7-19-8-6-17/h1-4,9H,5-8H2 |
| InChIK | UHAHVNBNBUTATH-UHFFFAOYSA-N |
| TotalMolweight | 337.172 |
| Molweight | 337.172 |
| MonoisotopicMass | 336.010954 |
| CLogP | 1.0145 |
| CLogS | -2.897 |
| H Acceptors | 5 |
| TotalSurfaceArea | 215.66 |
| Relative PSA | 0.22304 |
| PolarSurfaceArea | 51.13 |
| Druglikeness | 0.25667 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| StereoCon |
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