이름: 5-bromo-3-(1,1-dioxidotetrahydro-2H-thiopyran-3-yl)-1H-indole-7-carboxylic acid
SMILES:
O=C(O)c1cc(Br)cc2c(C3CCCS(=O)(=O)C3)c[nH]c12Molecular Processing
Molecular formula
C14H14BrNO4S
Molecular weight
372.24
Exact mass
370.9827
XLogP
2.92
TPSA
87.23
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.357
Molar refractivity
83.59
Supplementary Information
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