Name: 1-butyl-1,2,3,4-tetrahydroquinoline-7-carboxylic acid
SMILES:
CCCCN1CCCc2ccc(C(=O)O)cc21Molecular Processing
Molecular formula
C14H19NO2
Molecular weight
233.31
Exact mass
233.1416
XLogP
2.94
TPSA
40.54
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
68.84
Supplementary Information
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