Name: 3-Amino-2,3-dihydro-1,5-benzothiazepin-4(5H)-one hydrochloride
SMILES:
Cl.NC1CSc2ccccc2NC1=OMolecular Processing
Molecular formula
C9H11ClN2OS
Molecular weight
230.72
Exact mass
230.0281
XLogP
1.48
TPSA
55.12
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.222
Molar refractivity
61.02
Supplementary Information
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