الاسم: ethyl 3-hydroxy-3-(4′-chloro-[1,1′-biphenyl]-4-yl)-butanoate
SMILES:
CCOC(=O)CC(C)(O)c1ccc(-c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C18H19ClO3
Molecular weight
318.8
Exact mass
318.1023
XLogP
4.17
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.278
Molar refractivity
87.71
Supplementary Information
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