Name: 7-methoxy-5-oxo-2,3,4,5-tetrahydro-1,4-benzothiazepine
SMILES:
COc1ccc2c(c1)C(=O)NCCS2Molecular Processing
Molecular formula
C10H11NO2S
Molecular weight
209.27
Exact mass
209.051
XLogP
1.53
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
14
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
0.3
Molar refractivity
56.05
Supplementary Information
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