이름: alcohol
SMILES:
COc1cc(OC)cc(Oc2cc(Br)ccc2CO)c1Molecular Processing
Molecular formula
C15H15BrO4
Molecular weight
339.19
Exact mass
338.0154
XLogP
3.75
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
79.68
Supplementary Information
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