이름: 8
SMILES:
COCCOCOc1ccc2c(c1)C(C#CC1CC1)(C(F)(F)F)OC(=O)N2Molecular Processing
Molecular formula
C18H18F3NO5
Molecular weight
385.34
Exact mass
385.1137
XLogP
3.42
TPSA
66.02
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
27
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.1
Supplementary Information
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