이름: 2-(1-methanesulfonyl-5-nitro-6-trifluoromethyl-1H-indol-2-yl)-1-(2,2,2-trifluoro-ethylsulfanyl)-butan-2-ol
SMILES:
CCC(O)(CSCC(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2n1S(C)(=O)=OMolecular Processing
Molecular formula
C16H16F6N2O5S2
Molecular weight
494.44
Exact mass
494.0405
XLogP
4.27
TPSA
102.44
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
7
Heavy atoms
31
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
101.4
Supplementary Information
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