이름: (S)-2-[4-(3-chloro-2-fluoro-phenoxy)-2-oxo-2,5-dihydro-pyrrol-1-yl]-4-methyl-pentanoic acid
SMILES:
CC(C)C[C@@H](C(=O)O)N1CC(Oc2cccc(Cl)c2F)=CC1=OMolecular Processing
Molecular formula
C16H17ClFNO4
Molecular weight
341.77
Exact mass
341.083
XLogP
3.08
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
82.71
Supplementary Information
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