COc1cc2c(cc1Br)C/C(=C\c1cccc(C(F)(F)F)c1)C2=O
名称: 152
SMILES: COc1cc2c(cc1Br)C/C(=C\c1cccc(C(F)(F)F)c1)C2=O

Molecular Processing

Molecular formula
C18H12BrF3O2
Molecular weight
397.19
Exact mass
395.9973
XLogP
5.3
TPSA
26.3
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
24
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
88.15

Supplementary Information

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