SMILES:
COc1cc(C=CCCCBr)cc(OC)c1OCMolecular Processing
Molecular formula
C14H19BrO3
Molecular weight
315.21
Exact mass
314.0518
XLogP
3.9
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
78.16
Supplementary Information
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