Cc1cc(OCCCONC(=N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C2CCN(C)CC2)c1.Cl.Cl
SMILES: Cc1cc(OCCCONC(=N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)N(C)C2CCN(C)CC2)c1.Cl.Cl

Molecular Processing

Molecular formula
C24H37Cl2N5O7S2
Molecular weight
642.63
Exact mass
641.1511
XLogP
2.5
TPSA
164.35
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
40
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
16
Covalent units
3
Fraction Csp3
0.458
Molar refractivity
156.51

Supplementary Information

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