이름: 2-(1-bromoethyl)-2-(5-bromo-6-methoxy-2-naphthyl)-4(R),5(R)-dicarboxy-1,3-dioxolane
SMILES:
COc1ccc2cc(C3(C(C)Br)O[C@@H](C(=O)O)[C@H](C(=O)O)O3)ccc2c1BrMolecular Processing
Molecular formula
C18H16Br2O7
Molecular weight
504.13
Exact mass
501.9263
XLogP
3.5
TPSA
102.29
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
27
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
103.28
Supplementary Information
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