الاسم: ethyl 3-(4′-chloro-[1,1′-biphenyl]-4-yl)-but-2-enoate
SMILES:
CCOC(=O)C=C(C)c1ccc(-c2ccc(Cl)cc2)cc1Molecular Processing
Molecular formula
C18H17ClO2
Molecular weight
300.79
Exact mass
300.0917
XLogP
4.97
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
21
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
0.167
Molar refractivity
87.17
Supplementary Information
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