이름: 4-(4-(4-bromo-2-fluorophenoxy)phenoxy)-3-methoxy-2-penten-1-ol
SMILES:
COC(=CCO)C(C)Oc1ccc(Oc2ccc(Br)cc2F)cc1Molecular Processing
Molecular formula
C18H18BrFO4
Molecular weight
397.24
Exact mass
396.0372
XLogP
4.67
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
92.88
Supplementary Information
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