Cc1ccc([N+](=O)[O-])c(S(=O)(=O)C(C)C)c1
名称: 2-(isopropylsulfonyl)-4-methyl-1-nitrobenzene
SMILES: Cc1ccc([N+](=O)[O-])c(S(=O)(=O)C(C)C)c1

Molecular Processing

Molecular formula
C10H13NO4S
Molecular weight
243.28
Exact mass
243.0565
XLogP
2.09
TPSA
77.28
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
60.16

Supplementary Information

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