SMILES:
CN1CCC(C(=O)c2cccc(Br)n2)CC1Molecular Processing
Molecular formula
C12H15BrN2O
Molecular weight
283.17
Exact mass
282.0368
XLogP
2.37
TPSA
33.2
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
66.49
Supplementary Information
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