Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2
SMILES: Cc1cc2c(s1)CCN(C(=O)OC(C)(C)C)C2

Molecular Processing

Molecular formula
C13H19NO2S
Molecular weight
253.37
Exact mass
253.1136
XLogP
3.35
TPSA
29.54
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.615
Molar refractivity
69.4

Supplementary Information

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