CCCNC1CCC2=C(C1)SC(N)(S(=O)(=O)[O-])N2
Name: 2-amino-4,5,6,7-tetrahydro-6-(propylamino)benzothiazole sulfonate
SMILES: CCCNC1CCC2=C(C1)SC(N)(S(=O)(=O)[O-])N2

Molecular Processing

Molecular formula
C10H18N3O3S2-
Molecular weight
292.41
Exact mass
292.0795
XLogP
0.2
TPSA
107.28
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
18
Rings
2
Aromatic rings
0
Saturated rings
0
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
-1
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
70.3

Supplementary Information

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