SMILES:
CCc1ccc(Cc2cc(Br)c(OC)cc2C#N)cc1Molecular Processing
Molecular formula
C17H16BrNO
Molecular weight
330.23
Exact mass
329.0415
XLogP
4.48
TPSA
33.02
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
84.04
Supplementary Information
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