이름: benzyl ester
SMILES:
C[C@H](C(=O)OCc1ccccc1)N1OC[C@H](O)[C@H](O)C1=OMolecular Processing
Molecular formula
C14H17NO6
Molecular weight
295.29
Exact mass
295.1056
XLogP
-0.39
TPSA
96.3
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
70.51
Supplementary Information
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