الاسم: 4-amino-tetrahydro-thiopyran-4-carboxylic acid methyl ester
SMILES:
COC(=O)C1(N)CCSCC1Molecular Processing
Molecular formula
C7H13NO2S
Molecular weight
175.25
Exact mass
175.0667
XLogP
0.38
TPSA
52.32
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
11
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
0.857
Molar refractivity
45.49
Supplementary Information
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