이름: title compound
SMILES:
N#Cc1cnc(C(F)F)c(C(=O)N=C=O)c1Molecular Processing
Molecular formula
C9H3F2N3O2
Molecular weight
223.14
Exact mass
223.0193
XLogP
1.37
TPSA
83.18
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
16
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
46.36
Supplementary Information
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