SMILES:
N#CC1Cc2cc3c(cc21)OCO3Molecular Processing
Molecular formula
C10H7NO2
Molecular weight
173.17
Exact mass
173.0477
XLogP
1.58
TPSA
42.25
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
13
Rings
3
Aromatic rings
1
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
44.62
Supplementary Information
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