COc1ccc(C)cc1S(=O)(=O)N1CCOc2ccc(C(=O)O)cc21
Name: 4-(2-methoxy-5-methyl-benzenesulfonyl)-3,4-dihydro-2H-benzo[1,4]oxazine-6-carboxylic acid
SMILES: COc1ccc(C)cc1S(=O)(=O)N1CCOc2ccc(C(=O)O)cc21

Molecular Processing

Molecular formula
C17H17NO6S
Molecular weight
363.39
Exact mass
363.0777
XLogP
2.29
TPSA
93.14
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
91.16

Supplementary Information

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