SMILES:
N#CC1(c2cccc(C(=O)O)c2)CCOCC1Molecular Processing
Molecular formula
C13H13NO3
Molecular weight
231.25
Exact mass
231.0895
XLogP
1.96
TPSA
70.32
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
60.75
Supplementary Information
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