이름: 4-[3-(p-tolylsulphonyloxy)-prop-1-ynyl]-nitrobenzene
SMILES:
Cc1ccc(S(=O)(=O)OCC#Cc2ccc([N+](=O)[O-])cc2)cc1Molecular Processing
Molecular formula
C16H13NO5S
Molecular weight
331.35
Exact mass
331.0514
XLogP
2.66
TPSA
86.51
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
84.29
Supplementary Information
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