名称: acetic acid (1 RS,3RS,4RS)-4-amino-3-(3-ethoxy-4-methoxyphenyl)cyclohexyl ester
SMILES:
CCOc1cc(C2CC(OC(C)=O)CCC2N)ccc1OCMolecular Processing
Molecular formula
C17H25NO4
Molecular weight
307.39
Exact mass
307.1784
XLogP
2.62
TPSA
70.78
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.588
Molar refractivity
84.28
Supplementary Information
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