SMILES:
c1c2c(cc3c1OCO3)CCNCC2Molecular Processing
Molecular formula
C11H13NO2
Molecular weight
191.23
Exact mass
191.0946
XLogP
1.1
TPSA
30.49
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
14
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
52.84
Supplementary Information
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