Name: (7-chloro-3-methanesulfonyl-indol-1-yl)-acetonitrile
SMILES:
CS(=O)(=O)c1cn(CC#N)c2c(Cl)cccc12Molecular Processing
Molecular formula
C11H9ClN2O2S
Molecular weight
268.73
Exact mass
268.0073
XLogP
2.22
TPSA
62.86
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.182
Molar refractivity
65.67
Supplementary Information
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