SMILES:
O=Cc1coc2ccccc2c1=OMolecular Processing
Molecular formula
C10H6O3
Molecular weight
174.15
Exact mass
174.0317
XLogP
1.61
TPSA
47.28
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
47.87
Supplementary Information
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