SMILES:
Cc1[nH]cnc1CSCCNMolecular Processing
Molecular formula
C7H13N3S
Molecular weight
171.27
Exact mass
171.083
XLogP
0.91
TPSA
54.7
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.571
Molar refractivity
48.54
Supplementary Information
Obteniendo detalles…
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