이름: [4-nitro-2-(2,2,2-trifluoroethoxy)phenyl](pyridin-2-yl)methanol
SMILES:
O=[N+]([O-])c1ccc(C(O)c2ccccn2)c(OCC(F)(F)F)c1Molecular Processing
Molecular formula
C14H11F3N2O4
Molecular weight
328.25
Exact mass
328.0671
XLogP
3.01
TPSA
85.49
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
72.95
Supplementary Information
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