이름: Ethyl 5-bromo-3-(1,1-dioxidotetrahydro-3-thienyl)-1H-indole-7-carboxylate
SMILES:
CCOC(=O)c1cc(Br)cc2c(C3CCS(=O)(=O)C3)c[nH]c12Molecular Processing
Molecular formula
C15H16BrNO4S
Molecular weight
386.27
Exact mass
384.9983
XLogP
3.01
TPSA
76.23
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
22
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
0.4
Molar refractivity
87.97
Supplementary Information
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