1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate
Formula:C24H18N3O5
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate is a drug-like molecule.
| MolName | 1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate |
| MolecularFormula | C24H18N3O5 |
| Smiles | [O-]c(c(/C=N\NC(c1cccc2ccccc12)=O)c(c(CCCC1)c1o1)c1c1)c1[N+]([O-])=O |
| InChI | InChI=1S/C24H19N3O5/c28-23-18(13-25-26-24(29)16-10-5-7-14-6-1-2-8-15(14)16)22-17-9-3-4-11-20(17)32-21(22)12-19(23)27(30)31/h1-2,5-8,10,12-13,28H,3-4,9,11H2,(H,26,29)/p-1 |
| InChIK | DOLIEJKLLOBPCK-UHFFFAOYSA-M |
| TotalMolweight | 428.423 |
| Molweight | 428.423 |
| MonoisotopicMass | 428.124647 |
| CLogP | 3.2131 |
| CLogS | -7.766 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 318.62 |
| Relative PSA | 0.2976 |
| PolarSurfaceArea | 123.48 |
| Druglikeness | -5.6985 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.46875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 19 |
| Sp3Atoms | 6 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - 1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate | 2 - 1-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]-3-nitro-6,7,8,9-tetrahydrodibenzofuran-2-olate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off