2-anilino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Formula:C15H13N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-anilino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is a drug-like molecule.
| MolName | 2-anilino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide |
| MolecularFormula | C15H13N3OCl2 |
| Smiles | O=C(CNc1ccccc1)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H13Cl2N3O/c16-13-7-6-11(8-14(13)17)9-19-20-15(21)10-18-12-4-2-1-3-5-12/h1-9,18H,10H2,(H,20,21) |
| InChIK | NNOSYICWQJFDLB-UHFFFAOYSA-N |
| TotalMolweight | 322.194 |
| Molweight | 322.194 |
| MonoisotopicMass | 321.043566 |
| CLogP | 3.7055 |
| CLogS | -5.015 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 243.05 |
| Relative PSA | 0.19531 |
| PolarSurfaceArea | 53.49 |
| Druglikeness | 5.0457 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
Click to Load Molecule:
1 - 2-anilino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide | 2 - 2-anilino-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off