Name: 2-ethoxycarbonyl-4-hydroxymethylisoindoline
SMILES:
CCOC(=O)N1Cc2cccc(CO)c2C1Molecular Processing
Molecular formula
C12H15NO3
Molecular weight
221.26
Exact mass
221.1052
XLogP
1.65
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
58.63
Supplementary Information
Details werden geladen…
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