SMILES:
COc1ccc2c3c1CCCC3(CCCCBr)C(=O)N2Molecular Processing
Molecular formula
C16H20BrNO2
Molecular weight
338.24
Exact mass
337.0677
XLogP
3.79
TPSA
38.33
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
20
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
83.88
Supplementary Information
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