SMILES:
CC(=O)c1cccc2c1CC(=CCCBr)c1cccnc1O2Molecular Processing
Molecular formula
C18H16BrNO2
Molecular weight
358.24
Exact mass
357.0364
XLogP
4.8
TPSA
39.19
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
90.85
Supplementary Information
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