SMILES:
BrCCCCOCc1ccc2c(c1)OCO2Molecular Processing
Molecular formula
C12H15BrO3
Molecular weight
287.15
Exact mass
286.0205
XLogP
3.11
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
65.25
Supplementary Information
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