CCCCC(Oc1ccc(C=CC(=O)OCC)c(Cl)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)n1
SMILES: CCCCC(Oc1ccc(C=CC(=O)OCC)c(Cl)c1)c1cccc(-c2ccc(C(F)(F)F)cc2)n1

Molecular Processing

Molecular formula
C28H27ClF3NO3
Molecular weight
517.98
Exact mass
517.1632
XLogP
8.31
TPSA
48.42
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
36
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
134.69

Supplementary Information

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