SMILES:
CCn1ccc(C(=O)O)c1Molecular Processing
Molecular formula
C7H9NO2
Molecular weight
139.15
Exact mass
139.0633
XLogP
1.21
TPSA
42.23
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
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
37.07
Supplementary Information
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