이름: 4-[4-[2-[(E)-2-phenylethenyl]-4-oxazolylmethoxy]phenyl]butyl methanesulfonate
SMILES:
CS(=O)(=O)OCCCCc1ccc(OCc2coc(/C=C/c3ccccc3)n2)cc1Molecular Processing
Molecular formula
C23H25NO5S
Molecular weight
427.52
Exact mass
427.1453
XLogP
4.72
TPSA
78.63
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
11
Heavy atoms
30
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.261
Molar refractivity
116.38
Supplementary Information
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