Name: 3,3,5-Trimethoxy-4-chloro-2-pyrrolidinone
SMILES:
COC1NC(=O)C(OC)(OC)C1ClMolecular Processing
Molecular formula
C7H12ClNO4
Molecular weight
209.63
Exact mass
209.0455
XLogP
-0.31
TPSA
56.79
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
13
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
45.33
Supplementary Information
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