이름: 1-azabicyclo[2.2.2]oct-3-yl(2-bromo-3-thienyl)carbamate
SMILES:
O=C(Nc1ccsc1Br)OC1CN2CCC1CC2Molecular Processing
Molecular formula
C12H15BrN2O2S
Molecular weight
331.24
Exact mass
330.0038
XLogP
3.15
TPSA
41.57
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
18
Rings
4
Aromatic rings
1
Saturated rings
3
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.583
Molar refractivity
75.07
Supplementary Information
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