Name: 3-(3-Chloro-4-hydroxy-phenyl)-1-cyclopentyl-propan-1-one
SMILES:
O=C(CCc1ccc(O)c(Cl)c1)C1CCCC1Molecular Processing
Molecular formula
C14H17ClO2
Molecular weight
252.74
Exact mass
252.0917
XLogP
3.74
TPSA
37.3
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
68.4
Supplementary Information
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