Nombre: 1-thia-4,7,10-triazacyclododecane
SMILES:
C1CNCCSCCNCCN1Molecular Processing
Molecular formula
C8H19N3S
Molecular weight
189.33
Exact mass
189.13
XLogP
-0.5
TPSA
36.09
H-bond donors
3
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
12
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
55.93
Supplementary Information
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