이름: 16
SMILES:
COC(=O)c1c([N+](=O)[O-])ccc(N(CCOS(C)(=O)=O)CCOS(C)(=O)=O)c1[N+](=O)[O-]Molecular Processing
Molecular formula
C14H19N3O12S2
Molecular weight
485.45
Exact mass
485.041
XLogP
0.05
TPSA
202.56
H-bond donors
0
H-bond acceptors
13
Rotatable bonds
12
Heavy atoms
31
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
17
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
104.89
Supplementary Information
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