Name: 4-[2-(1-pyrrolidinyl)ethoxy]benzoic acid
SMILES:
O=C(O)c1ccc(OCCN2CCCC2)cc1Molecular Processing
Molecular formula
C13H17NO3
Molecular weight
235.28
Exact mass
235.1208
XLogP
1.86
TPSA
49.77
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
64.57
Supplementary Information
Details werden geladen…
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