이름: 2-(6-chloro-5-fluoro-1-methanesulfonyl-1H-indol-2-yl)-1-ethylsulfanyl-propan-2-ol
SMILES:
CCSCC(C)(O)c1cc2cc(F)c(Cl)cc2n1S(C)(=O)=OMolecular Processing
Molecular formula
C14H17ClFNO3S2
Molecular weight
365.88
Exact mass
365.0322
XLogP
3.2
TPSA
59.3
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
89.72
Supplementary Information
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