COc1cc(F)c(F)c(Nc2ccc(F)cc2I)c1N
Name: 5,6-difluoro-N1-(4-fluoro-2-iodophenyl)-3-methoxybenzene-1,2-diamine
SMILES: COc1cc(F)c(F)c(Nc2ccc(F)cc2I)c1N

Molecular Processing

Molecular formula
C13H10F3IN2O
Molecular weight
394.13
Exact mass
393.979
XLogP
4.04
TPSA
47.28
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
79.72

Supplementary Information

Details werden geladen…

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