Название: product
SMILES:
CNc1nc(SC)ncc1C(C)OMolecular Processing
Molecular formula
C8H13N3OS
Molecular weight
199.28
Exact mass
199.0779
XLogP
1.29
TPSA
58.04
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
53.99
Supplementary Information
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