이름: 3-(3-cyclopentyloxy-4-methoxyphenyl)-3-(4-methyl-1,3-dioxoisoindolin-2-yl)propanoic acid
SMILES:
COc1ccc(C(CC(=O)O)N2C(=O)c3cccc(C)c3C2=O)cc1OC1CCCC1Molecular Processing
Molecular formula
C24H25NO6
Molecular weight
423.47
Exact mass
423.1682
XLogP
4.14
TPSA
93.14
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
31
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
112.55
Supplementary Information
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