이름: (S)-2-[4-(4-methoxy-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid
SMILES:
COc1ccc(OC2=CC(=O)N([C@@H](CC(C)C)C(=O)O)C2)cc1Molecular Processing
Molecular formula
C17H21NO5
Molecular weight
319.36
Exact mass
319.142
XLogP
2.3
TPSA
76.07
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.412
Molar refractivity
84.3
Supplementary Information
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