Name: 5-(4′-chloro-4-ethylbiphen-3-yl)-4-hydroxycyclopent-2-enone
SMILES:
CCc1ccc(-c2ccc(Cl)cc2)cc1C1C(=O)C=CC1OMolecular Processing
Molecular formula
C19H17ClO2
Molecular weight
312.8
Exact mass
312.0917
XLogP
4.15
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.211
Molar refractivity
89.16
Supplementary Information
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