O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1cc3c(cc12)OC(F)(F)O3
SMILES: O=C1N(Cc2ccc(C(F)(F)F)o2)c2ccccc2C12COc1cc3c(cc12)OC(F)(F)O3

Molecular Processing

Molecular formula
C22H12F5NO5
Molecular weight
465.33
Exact mass
465.0636
XLogP
4.85
TPSA
61.14
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
33
Rings
6
Aromatic rings
3
Saturated rings
0
Aliphatic rings
3
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.227
Molar refractivity
100.26

Supplementary Information

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