SMILES:
CCCC(C(=O)O)n1cccc1Molecular Processing
Molecular formula
C9H13NO2
Molecular weight
167.21
Exact mass
167.0946
XLogP
1.91
TPSA
42.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
46.01
Supplementary Information
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