名称: (3RS,4RS)-7-hydroxy-3-methyl-4-[9-(4,4,5,5,5-pentafluoropentylthio)nonyl]-3-(4-pyridyl)chroman
SMILES:
CC1(c2ccncc2)COc2cc(O)ccc2C1CCCCCCCCCSCCCC(F)(F)C(F)(F)FMolecular Processing
Molecular formula
C29H38F5NO2S
Molecular weight
559.69
Exact mass
559.2543
XLogP
9.05
TPSA
42.35
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
15
Heavy atoms
38
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
0.621
Molar refractivity
142.43
Supplementary Information
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