[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate
Formula:C21H14N4O7
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate |
| MolecularFormula | C21H14N4O7 |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c(cc1)ccc1OC(c1ccc([N+]([O-])=O)o1)=O)=O |
| InChI | InChI=1S/C21H14N4O7/c22-11-15-3-1-2-4-17(15)30-13-19(26)24-23-12-14-5-7-16(8-6-14)31-21(27)18-9-10-20(32-18)25(28)29/h1-10,12H,13H2,(H,24,26) |
| InChIK | JXLVIJTVMNWJAO-UHFFFAOYSA-N |
| TotalMolweight | 434.363 |
| Molweight | 434.363 |
| MonoisotopicMass | 434.086251 |
| CLogP | 2.6611 |
| CLogS | -6.411 |
| H Acceptors | 11 |
| H Donors | 1 |
| TotalSurfaceArea | 333.33 |
| Relative PSA | 0.38142 |
| PolarSurfaceArea | 159.74 |
| Druglikeness | -3.1945 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate | 2 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off