SMILES:
FC1(F)CC1COc1cnc(Cl)nc1Molecular Processing
Molecular formula
C8H7ClF2N2O
Molecular weight
220.61
Exact mass
220.0215
XLogP
2.16
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
45.59
Supplementary Information
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