[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
Formula:C14H12N3O3Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate |
| MolecularFormula | C14H12N3O3Cl |
| Smiles | N/C(/c1ncccc1)=N/OC(COc(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C14H12ClN3O3/c15-10-4-6-11(7-5-10)20-9-13(19)21-18-14(16)12-3-1-2-8-17-12/h1-8H,9H2,(H2,16,18) |
| InChIK | JZWGCONBFOFQTA-UHFFFAOYSA-N |
| TotalMolweight | 305.72 |
| Molweight | 305.72 |
| MonoisotopicMass | 305.056719 |
| CLogP | 2.3061 |
| CLogS | -3.281 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 230.2 |
| Relative PSA | 0.30752 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -2.5475 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(4-chlorophenoxy)acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off