SMILES:
COC(=O)c1cc(C(=O)OC)n(Cc2cc(-c3ccc(Cl)s3)on2)n1Molecular Processing
Molecular formula
C15H12ClN3O5S
Molecular weight
381.8
Exact mass
381.0186
XLogP
2.87
TPSA
96.45
H-bond donors
0
H-bond acceptors
8
Rotatable bonds
5
Heavy atoms
25
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
88.83
Supplementary Information
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