4-nitro-2-[(Z)-[[5-[[(Z)-(5-nitro-2-oxidophenyl)methylideneamino]carbamoyl]furan-2-carbonyl]hydrazinylidene]methyl]phenolate
Formula:C20H12N6O9
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-nitro-2-[(Z)-[[5-[[(Z)-(5-nitro-2-oxidophenyl)methylideneamino]carbamoyl]furan-2-carbonyl]hydrazinylidene]methyl]phenolate is not a drug-like molecule.
| MolName | 4-nitro-2-[(Z)-[[5-[[(Z)-(5-nitro-2-oxidophenyl)methylideneamino]carbamoyl]furan-2-carbonyl]hydrazinylidene]methyl]phenolate |
| MolecularFormula | C20H12N6O9 |
| Smiles | [O-]c(cc1)c(/C=N\NC(c2ccc(C(N/N=C\c(cc(cc3)[N+]([O-])=O)c3[O-])=O)o2)=O)cc1[N+]([O-])=O |
| InChI | InChI=1S/C20H14N6O9/c27-15-3-1-13(25(31)32)7-11(15)9-21-23-19(29)17-5-6-18(35-17)20(30)24-22-10-12-8-14(26(33)34)2-4-16(12)28/h1-10,27-28H,(H,23,29)(H,24,30)/p-2 |
| InChIK | CZFZASWCWRPJSD-UHFFFAOYSA-L |
| TotalMolweight | 480.348 |
| Molweight | 480.348 |
| MonoisotopicMass | 480.066579 |
| CLogP | -1.7043 |
| CLogS | -5.86 |
| H Acceptors | 15 |
| H Donors | 2 |
| TotalSurfaceArea | 352.81 |
| Relative PSA | 0.49752 |
| PolarSurfaceArea | 233.82 |
| Druglikeness | 0.52673 |
| 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 | 35 |
| NonCHAtoms | 15 |
| Electronegative Atoms | 15 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 4 |
| Symmetricatoms | 17 |
| AcidicOxygens | 2 |
| StereoCon |
Click to Load Molecule:
1 - 4-nitro-2-[(Z)-[[5-[[(Z)-(5-nitro-2-oxidophenyl)methylideneamino]carbamoyl]furan-2-carbonyl]hydrazinylidene]methyl]phenolate | 2 - 4-nitro-2-[(Z)-[[5-[[(Z)-(5-nitro-2-oxidophenyl)methylideneamino]carbamoyl]furan-2-carbonyl]hydrazinylidene]methyl]phenolate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off