이름: α,3-dichloro-4-cyclohexylphenylacetic acid
SMILES:
O=C(O)C(Cl)c1ccc(C2CCCCC2)c(Cl)c1Molecular Processing
Molecular formula
C14H16Cl2O2
Molecular weight
287.19
Exact mass
286.0527
XLogP
4.75
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
73.51
Supplementary Information
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