O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1cc(Br)c(Cl)s1
SMILES: O=S(=O)(Nc1ccc(F)c(F)c1Nc1ccc(I)cc1F)c1cc(Br)c(Cl)s1

Molecular Processing

Molecular formula
C16H8BrClF3IN2O2S2
Molecular weight
623.64
Exact mass
621.7896
XLogP
6.73
TPSA
58.2
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
28
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0
Molar refractivity
116.6

Supplementary Information

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