이름: 4-benzyloxy-3-chloro-5-methoxy-benzoic acid benzyl ester
SMILES:
COc1cc(C(=O)OCc2ccccc2)cc(Cl)c1OCc1ccccc1Molecular Processing
Molecular formula
C22H19ClO4
Molecular weight
382.84
Exact mass
382.0972
XLogP
5.28
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
27
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.136
Molar refractivity
104.34
Supplementary Information
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