SMILES:
COC(=O)N1CCCC(O)C1CC(=O)Cn1cnc2c(Cl)c(Cl)sc2c1=OMolecular Processing
Molecular formula
C16H17Cl2N3O5S
Molecular weight
434.3
Exact mass
433.0266
XLogP
2.32
TPSA
101.73
H-bond donors
1
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
101.66
Supplementary Information
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