SMILES:
N#Cc1ccc(CNC(=O)C(Br)c2ccccc2)cc1Molecular Processing
Molecular formula
C16H13BrN2O
Molecular weight
329.2
Exact mass
328.0211
XLogP
3.31
TPSA
52.89
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
81.11
Supplementary Information
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