Name: methyl 4-amino-5-methanesulfonyl-2-methylbenzoate
SMILES:
COC(=O)c1cc(S(C)(=O)=O)c(N)cc1CMolecular Processing
Molecular formula
C10H13NO4S
Molecular weight
243.28
Exact mass
243.0565
XLogP
0.77
TPSA
86.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
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
0.3
Molar refractivity
60.04
Supplementary Information
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