2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
Formula:C16H13N2O3Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C16H13N2O3Cl |
| Smiles | O=C(Cc(cc1)cc2c1OCO2)N/N=C\c1cccc(Cl)c1 |
| InChI | InChI=1S/C16H13ClN2O3/c17-13-3-1-2-12(6-13)9-18-19-16(20)8-11-4-5-14-15(7-11)22-10-21-14/h1-7,9H,8,10H2,(H,19,20) |
| InChIK | UGDIYBFKBYZVDR-UHFFFAOYSA-N |
| TotalMolweight | 316.743 |
| Molweight | 316.743 |
| MonoisotopicMass | 316.06147 |
| CLogP | 3.9171 |
| CLogS | -5.133 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 236.43 |
| Relative PSA | 0.2369 |
| PolarSurfaceArea | 59.92 |
| Druglikeness | 4.2354 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| StereoCon |
Click to Load Molecule:
1 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide | 2 - 2-(1,3-benzodioxol-5-yl)-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off