[3-(furan-2-carbonyloxy)-4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C24H15N3O9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-(furan-2-carbonyloxy)-4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [3-(furan-2-carbonyloxy)-4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C24H15N3O9 |
| Smiles | [O-][N+](c(cc1)ccc1C(N/N=C\c(ccc(OC(c1ccco1)=O)c1)c1OC(c1ccco1)=O)=O)=O |
| InChI | InChI=1S/C24H15N3O9/c28-22(15-5-8-17(9-6-15)27(31)32)26-25-14-16-7-10-18(35-23(29)19-3-1-11-33-19)13-21(16)36-24(30)20-4-2-12-34-20/h1-14H,(H,26,28) |
| InChIK | VHKLUYIMPPJFTD-UHFFFAOYSA-N |
| TotalMolweight | 489.395 |
| Molweight | 489.395 |
| MonoisotopicMass | 489.080832 |
| CLogP | 3.5184 |
| CLogS | -6.485 |
| H Acceptors | 12 |
| H Donors | 1 |
| TotalSurfaceArea | 365.06 |
| Relative PSA | 0.3855 |
| PolarSurfaceArea | 166.16 |
| Druglikeness | -0.7973 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.52778 |
| Fragments | 1 |
| Non HAtoms | 36 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 10 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-(furan-2-carbonyloxy)-4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [3-(furan-2-carbonyloxy)-4-[(Z)-[(4-nitrobenzoyl)hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off