SMILES:
CC(C)(ON=C(C(=O)NC1C(=O)N2C1CSC1CC(=O)OC12C(=O)[O-])c1csc(N)n1)C(=O)OMolecular Processing
Molecular formula
C18H18N5O9S2-
Molecular weight
512.5
Exact mass
512.0551
XLogP
-2.49
TPSA
213.64
H-bond donors
3
H-bond acceptors
13
Rotatable bonds
7
Heavy atoms
34
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
-1
Heteroatoms
16
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
113.12
Supplementary Information
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