N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
Formula:C15H13N3O5
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide is a drug-like molecule.
| MolName | N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide |
| MolecularFormula | C15H13N3O5 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\C=C\c1ccco1)=O)=O |
| InChI | InChI=1S/C15H13N3O5/c19-15(17-16-9-3-5-12-6-4-10-22-12)11-23-14-8-2-1-7-13(14)18(20)21/h1-10H,11H2,(H,17,19) |
| InChIK | UVNSEDVEFHGOJA-UHFFFAOYSA-N |
| TotalMolweight | 315.284 |
| Molweight | 315.284 |
| MonoisotopicMass | 315.085522 |
| CLogP | 1.0619 |
| CLogS | -3.935 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 250.61 |
| Relative PSA | 0.36128 |
| PolarSurfaceArea | 109.65 |
| Druglikeness | -0.83395 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide | 2 - N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]-2-(2-nitrophenoxy)acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off