Name: 2,3,4,5-tetrahydro-1,4-benzothiazepine-1-oxide
SMILES:
O=S1CCNCc2ccccc21Molecular Processing
Molecular formula
C9H11NOS
Molecular weight
181.26
Exact mass
181.0561
XLogP
0.9
TPSA
29.1
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
49.42
Supplementary Information
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