이름: 5-Bromo-3-[2-(1-methylethyl)-1,1-dioxidotetrahydro-2H-thiopyran-4-yl]-1H-indole-7-carboxylic acid
SMILES:
CC(C)C1CC(c2c[nH]c3c(C(=O)O)cc(Br)cc23)CCS1(=O)=OMolecular Processing
Molecular formula
C17H20BrNO4S
Molecular weight
414.32
Exact mass
413.0296
XLogP
3.95
TPSA
87.23
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.471
Molar refractivity
97.35
Supplementary Information
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