[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-thiophen-2-ylacetate
Formula:C18H16N2O2S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
[(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-thiophen-2-ylacetate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-thiophen-2-ylacetate |
| MolecularFormula | C18H16N2O2S |
| Smiles | N/C(/Cc1cccc2ccccc12)=N/OC(Cc1cccs1)=O |
| InChI | InChI=1S/C18H16N2O2S/c19-17(20-22-18(21)12-15-8-4-10-23-15)11-14-7-3-6-13-5-1-2-9-16(13)14/h1-10H,11-12H2,(H2,19,20) |
| InChIK | OZBCVFUFGQKHMU-UHFFFAOYSA-N |
| TotalMolweight | 324.403 |
| Molweight | 324.403 |
| MonoisotopicMass | 324.093248 |
| CLogP | 4.1293 |
| CLogS | -5.082 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 250.32 |
| Relative PSA | 0.28036 |
| PolarSurfaceArea | 92.92 |
| Druglikeness | -1.2964 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-thiophen-2-ylacetate | 2 - [(E)-(1-amino-2-naphthalen-1-ylethylidene)amino] 2-thiophen-2-ylacetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off