名称: 117
SMILES:
Nc1cnc(-c2cc3c(cc2Cl)OC(F)(F)O3)cn1Molecular Processing
Molecular formula
C11H6ClF2N3O2
Molecular weight
285.64
Exact mass
285.0117
XLogP
2.7
TPSA
70.26
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
19
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
63.09
Supplementary Information
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