SMILES:
CC(=O)c1ccc2c3c1CCCC3(CCCCBr)C(=O)N2Molecular Processing
Molecular formula
C17H20BrNO2
Molecular weight
350.26
Exact mass
349.0677
XLogP
3.98
TPSA
46.17
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
5
Heavy atoms
21
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
0.529
Molar refractivity
87.34
Supplementary Information
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