(4Z)-2-(2-bromophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one
Formula:C16H9N2O4Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4Z)-2-(2-bromophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-2-(2-bromophenyl)-4-[(3-nitrophenyl)methylidene]-1,3-oxazol-5-one |
| MolecularFormula | C16H9N2O4Br |
| Smiles | [O-][N+](c1cccc(/C=C2\N=C(c(cccc3)c3Br)OC2=O)c1)=O |
| InChI | InChI=1S/C16H9BrN2O4/c17-13-7-2-1-6-12(13)15-18-14(16(20)23-15)9-10-4-3-5-11(8-10)19(21)22/h1-9H |
| InChIK | PTYQARWKCDGYFW-UHFFFAOYSA-N |
| TotalMolweight | 373.161 |
| Molweight | 373.161 |
| MonoisotopicMass | 371.974569 |
| CLogP | 2.3954 |
| CLogS | -5.213 |
| H Acceptors | 6 |
| TotalSurfaceArea | 237.25 |
| Relative PSA | 0.27385 |
| PolarSurfaceArea | 84.48 |
| Druglikeness | -5.9596 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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