SMILES:
COc1cc(C2CCC(OCCCBr)O2)cc(OC)c1OCMolecular Processing
Molecular formula
C16H23BrO5
Molecular weight
375.26
Exact mass
374.0729
XLogP
3.69
TPSA
46.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.625
Molar refractivity
87.31
Supplementary Information
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