SMILES:
COC1CCC2(CC1)Oc1ccc(Br)cc1C2=NMolecular Processing
Molecular formula
C14H16BrNO2
Molecular weight
310.19
Exact mass
309.0364
XLogP
3.54
TPSA
42.31
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
18
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.59
Supplementary Information
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