SMILES:
O=Cc1ccccc1-n1ccc2ccc(Br)nc21Molecular Processing
Molecular formula
C14H9BrN2O
Molecular weight
301.14
Exact mass
299.9898
XLogP
3.6
TPSA
34.89
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
18
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
74.16
Supplementary Information
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