이름: 3,5-dibromo-4-(3-isopropyl-4-methoxyphenoxy)phenylacetic acid
SMILES:
COc1ccc(Oc2c(Br)cc(CC(=O)O)cc2Br)cc1C(C)CMolecular Processing
Molecular formula
C18H18Br2O4
Molecular weight
458.15
Exact mass
455.9572
XLogP
5.76
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
100.34
Supplementary Information
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