SMILES:
CCOC(=O)C1=C(CSCCN)NC(C)=C([N+](=O)[O-])C1c1cccc([N+](=O)[O-])c1.O=C(O)/C=C/C(=O)OMolecular Processing
Molecular formula
C22H26N4O10S
Molecular weight
538.54
Exact mass
538.137
XLogP
2.01
TPSA
225.23
H-bond donors
4
H-bond acceptors
11
Rotatable bonds
11
Heavy atoms
37
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
15
Covalent units
2
Fraction Csp3
0.318
Molar refractivity
133.12
Supplementary Information
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