이름: 1-methanesulphonyl-hexahydro-4,5-epoxy-1H-azepine
SMILES:
CS(=O)(=O)N1CCC2OC2CC1Molecular Processing
Molecular formula
C7H13NO3S
Molecular weight
191.25
Exact mass
191.0616
XLogP
-0.19
TPSA
49.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
12
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
1
Molar refractivity
44.31
Supplementary Information
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