SMILES:
O=C1CCC(c2ccccc2)(c2ccccc2)CC1BrMolecular Processing
Molecular formula
C18H17BrO
Molecular weight
329.24
Exact mass
328.0463
XLogP
4.49
TPSA
17.07
H-bond donors
0
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
20
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
85.24
Supplementary Information
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