Name: (3RS,4RS)-7-hydroxy-3-(4-hydroxyphenyl)-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylthio)nonyl]thiochroman
SMILES:
CC1(c2ccc(O)cc2)CSc2cc(O)ccc2C1CCCCCCCCCSCCCC(F)(F)C(F)(F)FMolecular Processing
Molecular formula
C30H39F5O2S2
Molecular weight
590.76
Exact mass
590.2312
XLogP
10.08
TPSA
40.46
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
39
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
151.53
Supplementary Information
Details werden geladen…
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