الاسم: ethyl 4-cyano-3-(3-((methoxymethoxy)methyl)phenyl)-4-methylpentanoate
SMILES:
CCOC(=O)CC(c1cccc(COCOC)c1)C(C)(C)C#NMolecular Processing
Molecular formula
C18H25NO4
Molecular weight
319.4
Exact mass
319.1784
XLogP
3.39
TPSA
68.55
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.556
Molar refractivity
86.49
Supplementary Information
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