SMILES:
Cc1c(Br)cccc1N1Cc2ccc(C#N)cc2C1=OMolecular Processing
Molecular formula
C16H11BrN2O
Molecular weight
327.18
Exact mass
326.0055
XLogP
3.79
TPSA
44.1
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
20
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
0.125
Molar refractivity
80.55
Supplementary Information
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