N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
Formula:C13H16N3OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide is a drug-like molecule.
| MolName | N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide |
| MolecularFormula | C13H16N3OCl |
| Smiles | O=C(CN1CCCC1)N/N=C\c(cccc1)c1Cl |
| InChI | InChI=1S/C13H16ClN3O/c14-12-6-2-1-5-11(12)9-15-16-13(18)10-17-7-3-4-8-17/h1-2,5-6,9H,3-4,7-8,10H2,(H,16,18) |
| InChIK | VDKUOQWCYDPGSZ-UHFFFAOYSA-N |
| TotalMolweight | 265.743 |
| Molweight | 265.743 |
| MonoisotopicMass | 265.098189 |
| CLogP | 2.4483 |
| CLogS | -3.096 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 208.25 |
| Relative PSA | 0.18996 |
| PolarSurfaceArea | 44.7 |
| Druglikeness | 6.32 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 6 |
| Symmetricatoms | 2 |
| Amines | 1 |
| AlkylAmines | 1 |
| BasicNitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide | 2 - N-[(Z)-(2-chlorophenyl)methylideneamino]-2-pyrrolidin-1-ylacetamide
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off