SMILES:
c1cc(OCC2CO2)c2cc[nH]c2c1Molecular Processing
Molecular formula
C11H11NO2
Molecular weight
189.21
Exact mass
189.079
XLogP
1.95
TPSA
37.55
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
14
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
53.53
Supplementary Information
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