이름: 3-cyclopentyl-2-(3-trifluoromethyl-phenyl)-propionic acid
SMILES:
O=C(O)C(CC1CCCC1)c1cccc(C(F)(F)F)c1Molecular Processing
Molecular formula
C15H17F3O2
Molecular weight
286.29
Exact mass
286.1181
XLogP
4.45
TPSA
37.3
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
4
Heavy atoms
20
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.533
Molar refractivity
68.4
Supplementary Information
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