الاسم: crude acid 1b
SMILES:
CC[C@H](C(=O)O)[C@H](C(=O)N1CCOCC1)c1ccc(Cl)cc1Molecular Processing
Molecular formula
C16H20ClNO4
Molecular weight
325.79
Exact mass
325.1081
XLogP
2.39
TPSA
66.84
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
83.01
Supplementary Information
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