SMILES:
C1=CC2=CNCC3=C2C(=CO1)C1(C3)OCCO1Molecular Processing
Molecular formula
C13H13NO3
Molecular weight
231.25
Exact mass
231.0895
XLogP
1.34
TPSA
39.72
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
0
Heavy atoms
17
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
60.67
Supplementary Information
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Involved in 2 reactions→