Название: 2-(2-ethylsulfanyl-1-methoxy-1-methyl-ethyl)-1-methanesulfonyl-5-nitro-6-trifluoromethyl-1H-indole
SMILES:
CCSCC(C)(OC)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2n1S(C)(=O)=OMolecular Processing
Molecular formula
C16H19F3N2O5S2
Molecular weight
440.47
Exact mass
440.0687
XLogP
3.99
TPSA
91.44
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
28
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
101.2
Supplementary Information
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