SMILES:
O=C1CC2(CCCC2)SCN1CCCCBrMolecular Processing
Molecular formula
C12H20BrNOS
Molecular weight
306.27
Exact mass
305.0449
XLogP
3.4
TPSA
20.31
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
16
Rings
2
Aromatic rings
0
Saturated rings
2
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.917
Molar refractivity
73.02
Supplementary Information
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