SMILES:
Cc1cc(Br)c2oc(C#N)c(Cc3ccccc3)c2c1Molecular Processing
Molecular formula
C17H12BrNO
Molecular weight
326.19
Exact mass
325.0102
XLogP
4.97
TPSA
36.93
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.118
Molar refractivity
82.61
Supplementary Information
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