SMILES:
NC1CCC(Oc2cccc3cncc(Br)c23)CC1Molecular Processing
Molecular formula
C15H17BrN2O
Molecular weight
321.22
Exact mass
320.0524
XLogP
3.65
TPSA
48.14
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
80.3
Supplementary Information
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