OC1c2ccccc2COc2ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc21
SMILES: OC1c2ccccc2COc2ccc(OCc3ccc4cc(F)c(Cl)cc4n3)cc21

Molecular Processing

Molecular formula
C24H17ClFNO3
Molecular weight
421.86
Exact mass
421.0881
XLogP
5.58
TPSA
51.58
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
30
Rings
5
Aromatic rings
4
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.125
Molar refractivity
112.32

Supplementary Information

Details werden geladen…

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