O=C(O)c1cccc(C(=O)c2ccccc2)c1
Name: 3-benzoylbenzoic acid
SMILES: O=C(O)c1cccc(C(=O)c2ccccc2)c1

Molecular Processing

Molecular formula
C14H10O3
Molecular weight
226.23
Exact mass
226.063
XLogP
2.62
TPSA
54.37
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
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
63.28

Supplementary Information

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