Name: 2,3,4,5-tetrahydro-1,4-benzothiazepine-1,1-dioxide
SMILES:
O=S1(=O)CCNCc2ccccc21Molecular Processing
Molecular formula
C9H11NO2S
Molecular weight
197.26
Exact mass
197.051
XLogP
0.56
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
50.2
Supplementary Information
Details werden geladen…
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