(5E)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
Formula:C17H12N2O3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(5E)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione is a drug-like molecule.
| MolName | (5E)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione |
| MolecularFormula | C17H12N2O3 |
| Smiles | C#CCOc1c(/C=C(\C(N2)=O)/NC2=O)c2ccccc2cc1 |
| InChI | InChI=1S/C17H12N2O3/c1-2-9-22-15-8-7-11-5-3-4-6-12(11)13(15)10-14-16(20)19-17(21)18-14/h1,3-8,10H,9H2,(H2,18,19,20,21) |
| InChIK | AMABLZWHTRFHRV-UHFFFAOYSA-N |
| TotalMolweight | 292.293 |
| Molweight | 292.293 |
| MonoisotopicMass | 292.084793 |
| CLogP | 2.0199 |
| CLogS | -4.984 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 225.06 |
| Relative PSA | 0.26215 |
| PolarSurfaceArea | 67.43 |
| Druglikeness | 3.0018 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | limit! 5-methylene-imidazolidine-2,4-dione |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 10 |
| Sp3Atoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - (5E)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione | 2 - (5E)-5-[(2-prop-2-ynoxynaphthalen-1-yl)methylidene]imidazolidine-2,4-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off