[3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H15N3O7
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H15N3O7 |
| Smiles | [O-][N+](c(cccc1)c1OCC(N/N=C\c1cc(OC(c2ccco2)=O)ccc1)=O)=O |
| InChI | InChI=1S/C20H15N3O7/c24-19(13-29-17-8-2-1-7-16(17)23(26)27)22-21-12-14-5-3-6-15(11-14)30-20(25)18-9-4-10-28-18/h1-12H,13H2,(H,22,24) |
| InChIK | SRFQAHLBLUQLEH-UHFFFAOYSA-N |
| TotalMolweight | 409.353 |
| Molweight | 409.353 |
| MonoisotopicMass | 409.091002 |
| CLogP | 2.4741 |
| CLogS | -5.113 |
| H Acceptors | 10 |
| H Donors | 1 |
| TotalSurfaceArea | 311.62 |
| Relative PSA | 0.36448 |
| PolarSurfaceArea | 135.95 |
| Druglikeness | -0.73451 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 9 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [3-[(Z)-[[2-(2-nitrophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off