SMILES:
N#CCc1ccc2c(c1)COCO2Molecular Processing
Molecular formula
C10H9NO2
Molecular weight
175.19
Exact mass
175.0633
XLogP
1.62
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
46.04
Supplementary Information
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