CCN(CC)CC#CCOc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COP(=O)(OC(C)C)OC(C)C)C2=O
SMILES: CCN(CC)CC#CCOc1cc(C(C)C)c2c(c1)S(=O)(=O)N(COP(=O)(OC(C)C)OC(C)C)C2=O

Molecular Processing

Molecular formula
C25H39N2O8PS
Molecular weight
558.63
Exact mass
558.2165
XLogP
4.61
TPSA
111.68
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
13
Heavy atoms
37
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.64
Molar refractivity
140.95

Supplementary Information

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