SMILES:
O=C1OCCC1Nc1ccccc1Molecular Processing
Molecular formula
C10H11NO2
Molecular weight
177.2
Exact mass
177.079
XLogP
1.41
TPSA
38.33
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
49.43
Supplementary Information
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