SMILES:
Brc1ccc2c(cnn2C2CCCCO2)c1Molecular Processing
Molecular formula
C12H13BrN2O
Molecular weight
281.15
Exact mass
280.0211
XLogP
3.5
TPSA
27.05
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
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
0.417
Molar refractivity
66.27
Supplementary Information
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