SMILES:
CN1CC[C@H]1COc1cncc(Br)c1Molecular Processing
Molecular formula
C10H13BrN2O
Molecular weight
257.13
Exact mass
256.0211
XLogP
1.93
TPSA
25.36
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
58.47
Supplementary Information
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