이름: 1-[4-(2,2,3,3,3-pentafluoropropoxy)phenyl]-5(1H,4H)-tetrazolone
SMILES:
O=c1[nH]nnn1-c1ccc(OCC(F)(F)C(F)(F)F)cc1Molecular Processing
Molecular formula
C10H7F5N4O2
Molecular weight
310.18
Exact mass
310.0489
XLogP
1.53
TPSA
72.8
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
21
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
58.48
Supplementary Information
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