[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate
Formula:C15H12N2O3BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate is a drug-like molecule.
| MolName | [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate |
| MolecularFormula | C15H12N2O3BrCl |
| Smiles | N/C(/c(cc1)ccc1Br)=N/OC(COc(cccc1)c1Cl)=O |
| InChI | InChI=1S/C15H12BrClN2O3/c16-11-7-5-10(6-8-11)15(18)19-22-14(20)9-21-13-4-2-1-3-12(13)17/h1-8H,9H2,(H2,18,19) |
| InChIK | LYKGQVRJNVQDIA-UHFFFAOYSA-N |
| TotalMolweight | 383.628 |
| Molweight | 383.628 |
| MonoisotopicMass | 381.971981 |
| CLogP | 3.9782 |
| CLogS | -4.886 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 250.07 |
| Relative PSA | 0.23921 |
| PolarSurfaceArea | 73.91 |
| Druglikeness | -4.3375 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate | 2 - [(E)-[amino-(4-bromophenyl)methylidene]amino] 2-(2-chlorophenoxy)acetate
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