이름: 1-[4′-(4-carboxymethyl-3-methyl-isoxazol-5-yl)-biphenyl-4-yl]-cyclopropanecarboxylic acid ethyl ester
SMILES:
CCOC(=O)C1(c2ccc(-c3ccc(-c4onc(C)c4CC(=O)O)cc3)cc2)CC1Molecular Processing
Molecular formula
C24H23NO5
Molecular weight
405.45
Exact mass
405.1576
XLogP
4.54
TPSA
89.63
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
30
Rings
4
Aromatic rings
3
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.292
Molar refractivity
111
Supplementary Information
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