SMILES:
CC[NH+](CC)CC.Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)C(N)C3SC2)s1Molecular Processing
Molecular formula
C17H27N5O3S3
Molecular weight
445.64
Exact mass
445.1276
XLogP
-0.88
TPSA
116.68
H-bond donors
2
H-bond acceptors
9
Rotatable bonds
7
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
11
Covalent units
2
Fraction Csp3
0.647
Molar refractivity
111.06
Supplementary Information
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