[3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate
Formula:C24H17N3O6
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate is a drug-like molecule.
| MolName | [3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate |
| MolecularFormula | C24H17N3O6 |
| Smiles | [O-][N+](c1ccc(C(Oc2cc(/C=N\NC(Cc3cccc4ccccc34)=O)ccc2)=O)o1)=O |
| InChI | InChI=1S/C24H17N3O6/c28-22(14-18-8-4-7-17-6-1-2-10-20(17)18)26-25-15-16-5-3-9-19(13-16)32-24(29)21-11-12-23(33-21)27(30)31/h1-13,15H,14H2,(H,26,28) |
| InChIK | DTHFYUINVBEHHF-UHFFFAOYSA-N |
| TotalMolweight | 443.414 |
| Molweight | 443.414 |
| MonoisotopicMass | 443.111737 |
| CLogP | 4.4431 |
| CLogS | -7.429 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 336.22 |
| Relative PSA | 0.30807 |
| PolarSurfaceArea | 126.72 |
| Druglikeness | 1.1357 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.60606 |
| Fragments | 1 |
| Non HAtoms | 33 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate | 2 - [3-[(Z)-[(2-naphthalen-1-ylacetyl)hydrazinylidene]methyl]phenyl] 5-nitrofuran-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off