2-({[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Chemical Structure Depiction of
2-({[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
2-({[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol
Compound characteristics
Compound ID: | 8002-9293 |
Compound Name: | 2-({[2-(3-chlorophenyl)-1,3-benzoxazol-5-yl]imino}methyl)-4,6-dinitrophenol |
Molecular Weight: | 438.78 |
Molecular Formula: | C20 H11 Cl N4 O6 |
Smiles: | C(\c1cc(cc(c1O)[N+]([O-])=O)[N+]([O-])=O)=N/c1ccc2c(c1)nc(c1cccc(c1)[Cl])o2 |
Stereo: | ACHIRAL |
logP: | 5.405 |
logD: | 0.5777 |
logSw: | -5.6947 |
Hydrogen bond acceptors count: | 12 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 107.117 |
InChI Key: | DIDHTVRLJXPKDA-UHFFFAOYSA-N |