名称: product
SMILES:
OCCc1ccc2oc(Br)c(-c3ccccc3)c2c1Molecular Processing
Molecular formula
C16H13BrO2
Molecular weight
317.18
Exact mass
316.0099
XLogP
4.4
TPSA
33.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
80.14
Supplementary Information
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