N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
Formula:C18H13N3OCl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide is a drug-like molecule.
| MolName | N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide |
| MolecularFormula | C18H13N3OCl2 |
| Smiles | O=C(c(cccc1)c1-n1cccc1)N/N=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C18H13Cl2N3O/c19-14-8-7-13(16(20)11-14)12-21-22-18(24)15-5-1-2-6-17(15)23-9-3-4-10-23/h1-12H,(H,22,24) |
| InChIK | FWTOQJJSPIKPMP-UHFFFAOYSA-N |
| TotalMolweight | 358.227 |
| Molweight | 358.227 |
| MonoisotopicMass | 357.043566 |
| CLogP | 4.5985 |
| CLogS | -7.506 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 266.79 |
| Relative PSA | 0.16073 |
| PolarSurfaceArea | 46.39 |
| Druglikeness | 5.1092 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide | 2 - N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-pyrrol-1-ylbenzamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off