N-cyclopentyl-N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
Formula:C18H18N4O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-cyclopentyl-N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide is a drug-like molecule.
| MolName | N-cyclopentyl-N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide |
| MolecularFormula | C18H18N4O5 |
| Smiles | [O-][N+](c1cc(-c2ccc(/C=N\NC(C(NC3CCCC3)=O)=O)o2)ccc1)=O |
| InChI | InChI=1S/C18H18N4O5/c23-17(20-13-5-1-2-6-13)18(24)21-19-11-15-8-9-16(27-15)12-4-3-7-14(10-12)22(25)26/h3-4,7-11,13H,1-2,5-6H2,(H,20,23)(H,21,24) |
| InChIK | IWFQOIPNFUISTI-UHFFFAOYSA-N |
| TotalMolweight | 370.364 |
| Molweight | 370.364 |
| MonoisotopicMass | 370.127721 |
| CLogP | 1.6662 |
| CLogS | -5.242 |
| H Acceptors | 9 |
| H Donors | 2 |
| TotalSurfaceArea | 283.6 |
| Relative PSA | 0.37038 |
| PolarSurfaceArea | 129.52 |
| Druglikeness | -1.37 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde; limit! oxal-diamide |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amides | 1 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-cyclopentyl-N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide | 2 - N-cyclopentyl-N'-[(Z)-[5-(3-nitrophenyl)furan-2-yl]methylideneamino]oxamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off