SMILES:
BrCc1ccc2oc(-c3ccccc3)nc2c1Molecular Processing
Molecular formula
C14H10BrNO
Molecular weight
288.14
Exact mass
286.9946
XLogP
4.39
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
17
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
0.071
Molar refractivity
72.08
Supplementary Information
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