Name: methyl 2-amino-4-(methylsulfonyl)benzoate
SMILES:
COC(=O)c1ccc(S(C)(=O)=O)cc1NMolecular Processing
Molecular formula
C9H11NO4S
Molecular weight
229.26
Exact mass
229.0409
XLogP
0.46
TPSA
86.46
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
15
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
0.222
Molar refractivity
55.3
Supplementary Information
Details werden geladen…
An 8 Reaktionen beteiligt→