[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-bromo-4-chlorophenoxy)acetate
Formula:C14H11N3O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-bromo-4-chlorophenoxy)acetate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-bromo-4-chlorophenoxy)acetate |
| MolecularFormula | C14H11N3O3BrCl |
| Smiles | N/C(/c1ncccc1)=N/OC(COc(ccc(Cl)c1)c1Br)=O |
| InChI | InChI=1S/C14H11BrClN3O3/c15-10-7-9(16)4-5-12(10)21-8-13(20)22-19-14(17)11-3-1-2-6-18-11/h1-7H,8H2,(H2,17,19) |
| InChIK | WFYYVDBMTPTRMS-UHFFFAOYSA-N |
| TotalMolweight | 384.616 |
| Molweight | 384.616 |
| MonoisotopicMass | 382.96723 |
| CLogP | 3.0313 |
| CLogS | -4.115 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 248.83 |
| Relative PSA | 0.28449 |
| PolarSurfaceArea | 86.8 |
| Druglikeness | -4.3375 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
Click to Load Molecule:
1 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-bromo-4-chlorophenoxy)acetate | 2 - [(E)-[amino(pyridin-2-yl)methylidene]amino] 2-(2-bromo-4-chlorophenoxy)acetate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off