Name: 5-ethylsulfonylamino-2,3,4,5-tetrahydro-1-benzoxepine
SMILES:
CCS(=O)(=O)NC1CCCOc2ccccc21Molecular Processing
Molecular formula
C12H17NO3S
Molecular weight
255.34
Exact mass
255.0929
XLogP
1.84
TPSA
55.4
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.51
Supplementary Information
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