N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
Formula:C24H18N6O2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide is a drug-like molecule.
| MolName | N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide |
| MolecularFormula | C24H18N6O2 |
| Smiles | O=C(COc(cc1)ccc1-n1nnnc1)N/N=C\c1c(cccc2)c2cc2ccccc12 |
| InChI | InChI=1S/C24H18N6O2/c31-24(15-32-20-11-9-19(10-12-20)30-16-26-28-29-30)27-25-14-23-21-7-3-1-5-17(21)13-18-6-2-4-8-22(18)23/h1-14,16H,15H2,(H,27,31) |
| InChIK | HMFZUKSFBFLIJR-UHFFFAOYSA-N |
| TotalMolweight | 422.447 |
| Molweight | 422.447 |
| MonoisotopicMass | 422.149124 |
| CLogP | 4.0639 |
| CLogS | -7.012 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 325.19 |
| Relative PSA | 0.26382 |
| PolarSurfaceArea | 94.29 |
| Druglikeness | 3.1288 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 5 |
| Aromatic Atoms | 25 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 4 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide | 2 - N-[(Z)-anthracen-9-ylmethylideneamino]-2-[4-(tetrazol-1-yl)phenoxy]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off