SMILES:
Cc1ccc2c(OCCBr)cc(Cl)cc2n1Molecular Processing
Molecular formula
C12H11BrClNO
Molecular weight
300.58
Exact mass
298.9713
XLogP
3.97
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.25
Molar refractivity
70.78
Supplementary Information
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