SMILES:
COCOc1cnc(F)cc1IMolecular Processing
Molecular formula
C7H7FINO2
Molecular weight
283.04
Exact mass
282.9506
XLogP
1.81
TPSA
31.35
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
12
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
49.42
Supplementary Information
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