Nom: 1-Butyl-4-[methyl(methylsulfonyl)amino]-1H-indole-6-carboxylic acid
SMILES:
CCCCn1ccc2c(N(C)S(C)(=O)=O)cc(C(=O)O)cc21Molecular Processing
Molecular formula
C15H20N2O4S
Molecular weight
324.4
Exact mass
324.1144
XLogP
2.54
TPSA
79.61
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
87.05
Supplementary Information
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