이름: 6-[4-[2-[(E) -2-phenylethenyl]-4-oxazolylmethoxy]phenyl]hexyl methanesulfonate
SMILES:
CS(=O)(=O)OCCCCCCc1ccc(OCc2coc(/C=C/c3ccccc3)n2)cc1Molecular Processing
Molecular formula
C25H29NO5S
Molecular weight
455.58
Exact mass
455.1766
XLogP
5.5
TPSA
78.63
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
13
Heavy atoms
32
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
0.32
Molar refractivity
125.61
Supplementary Information
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