4-[(Z)-(3-nitrophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Formula:C18H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
4-[(Z)-(3-nitrophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione is a drug-like molecule.
| MolName | 4-[(Z)-(3-nitrophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione |
| MolecularFormula | C18H15N3O4 |
| Smiles | [O-][N+](c1cc(/C=N\N(C(C(C23)C4C=CC3C43CC3)=O)C2=O)ccc1)=O |
| InChI | InChI=1S/C18H15N3O4/c22-16-14-12-4-5-13(18(12)6-7-18)15(14)17(23)20(16)19-9-10-2-1-3-11(8-10)21(24)25/h1-5,8-9,12-15H,6-7H2 |
| InChIK | BAOWMYTUKUMZDC-UHFFFAOYSA-N |
| TotalMolweight | 337.334 |
| Molweight | 337.334 |
| MonoisotopicMass | 337.106257 |
| CLogP | 1.1245 |
| CLogS | -4.151 |
| H Acceptors | 7 |
| TotalSurfaceArea | 227.92 |
| Relative PSA | 0.31397 |
| PolarSurfaceArea | 95.56 |
| Druglikeness | -0.051815 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | low |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| StereoCenters | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 5 |
| Small Rings | 6 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 8 |
| Symmetricatoms | 6 |
| AcidicOxygens | 1 |
| StereoCon | unknown chirality |
Click to Load Molecule:
1 - 4-[(Z)-(3-nitrophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione | 2 - 4-[(Z)-(3-nitrophenyl)methylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off