SMILES:
CCCCc1nccc2ccc(C(=O)O)cc12Molecular Processing
Molecular formula
C14H15NO2
Molecular weight
229.28
Exact mass
229.1103
XLogP
3.28
TPSA
50.19
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
67.31
Supplementary Information
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