SMILES:
Brc1ccc(C23C=CCN(CC2)C3)cn1Molecular Processing
Molecular formula
C12H13BrN2
Molecular weight
265.15
Exact mass
264.0262
XLogP
2.36
TPSA
16.13
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
15
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
63.81
Supplementary Information
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