SMILES:
CC(=O)O.CC(=O)O.Cc1cc(OCCCNNC(=N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1Molecular Processing
Molecular formula
C21H29ClN4O8S
Molecular weight
533
Exact mass
532.1395
XLogP
2.35
TPSA
201.13
H-bond donors
6
H-bond acceptors
8
Rotatable bonds
9
Heavy atoms
35
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
3
Fraction Csp3
0.286
Molar refractivity
130.23
Supplementary Information
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