C#CCOC(=O)OC1CCN(CC=C)C(=O)N1c1nnc(S(C)(=O)=O)s1
SMILES: C#CCOC(=O)OC1CCN(CC=C)C(=O)N1c1nnc(S(C)(=O)=O)s1

Molecular Processing

Molecular formula
C14H16N4O6S2
Molecular weight
400.44
Exact mass
400.0511
XLogP
0.87
TPSA
119
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
6
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
12
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
92.33

Supplementary Information

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