SMILES:
CCn1ncc(C(=O)c2ccc3c(c2C)C(O)CCS3(=O)=O)c1OMolecular Processing
Molecular formula
C16H18N2O5S
Molecular weight
350.4
Exact mass
350.0936
XLogP
1.36
TPSA
109.49
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
85.81
Supplementary Information
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