SMILES:
Cc1noc(-c2ccc(Br)cc2)c1C1CO1Molecular Processing
Molecular formula
C12H10BrNO2
Molecular weight
280.12
Exact mass
278.9895
XLogP
3.48
TPSA
38.56
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
63.07
Supplementary Information
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