(4Z)-4-[(2,6-dinitrophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
Formula:C20H11N3O6
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(4Z)-4-[(2,6-dinitrophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one is a drug-like molecule.
| MolName | (4Z)-4-[(2,6-dinitrophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one |
| MolecularFormula | C20H11N3O6 |
| Smiles | [O-][N+](c1cccc([N+]([O-])=O)c1/C=C1\N=C(c2cccc3ccccc23)OC1=O)=O |
| InChI | InChI=1S/C20H11N3O6/c24-20-16(11-15-17(22(25)26)9-4-10-18(15)23(27)28)21-19(29-20)14-8-3-6-12-5-1-2-7-13(12)14/h1-11H |
| InChIK | PYKFQLKFWXMNND-UHFFFAOYSA-N |
| TotalMolweight | 389.322 |
| Molweight | 389.322 |
| MonoisotopicMass | 389.064787 |
| CLogP | 1.943 |
| CLogS | -6.445 |
| H Acceptors | 9 |
| TotalSurfaceArea | 276.89 |
| Relative PSA | 0.34451 |
| PolarSurfaceArea | 130.3 |
| Druglikeness | -4.1696 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.44828 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - (4Z)-4-[(2,6-dinitrophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one | 2 - (4Z)-4-[(2,6-dinitrophenyl)methylidene]-2-naphthalen-1-yl-1,3-oxazol-5-one
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off