Name: 4-acetyl-2,3,4,5-tetrahydro-1,4-benzothiazepine
SMILES:
CC(=O)N1CCSc2ccccc2C1Molecular Processing
Molecular formula
C11H13NOS
Molecular weight
207.3
Exact mass
207.0718
XLogP
2.14
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
58.26
Supplementary Information
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