SMILES:
Brc1cccc2c1CC1CNCCN21Molecular Processing
Molecular formula
C11H13BrN2
Molecular weight
253.14
Exact mass
252.0262
XLogP
1.78
TPSA
15.27
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
61.85
Supplementary Information
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