이름: aldehyde
SMILES:
CC(C)N(CCCC=O)S(=O)(=O)c1ccc(Cl)c(Cl)c1Molecular Processing
Molecular formula
C13H17Cl2NO3S
Molecular weight
338.26
Exact mass
337.0306
XLogP
3.37
TPSA
54.45
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
20
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
80.79
Supplementary Information
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