이름: 6-chloro-5-iodo-N-(4-(trifluoromethoxy)phenyl)nicotinamide
SMILES:
O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(Cl)c(I)c1Molecular Processing
Molecular formula
C13H7ClF3IN2O2
Molecular weight
442.56
Exact mass
441.9193
XLogP
4.49
TPSA
51.22
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
22
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
83.04
Supplementary Information
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