N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxyacetamide
Formula:C16H15N2O3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxyacetamide is a drug-like molecule.
| MolName | N-[(Z)-[2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-hydroxyacetamide |
| MolecularFormula | C16H15N2O3Br |
| Smiles | OCC(N/N=C\c(cccc1)c1OCc(cc1)ccc1Br)=O |
| InChI | InChI=1S/C16H15BrN2O3/c17-14-7-5-12(6-8-14)11-22-15-4-2-1-3-13(15)9-18-19-16(21)10-20/h1-9,20H,10-11H2,(H,19,21) |
| InChIK | IMCJVOMVHSHZFH-UHFFFAOYSA-N |
| TotalMolweight | 363.21 |
| Molweight | 363.21 |
| MonoisotopicMass | 362.026604 |
| CLogP | 2.9044 |
| CLogS | -4.219 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 249.49 |
| Relative PSA | 0.23692 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 2.5214 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| StereoCon |
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