이름: 4′-methyl-5-(5-trifluoromethyl-tetrazol-1-yl)-biphenyl-3-carboxylic acid methyl ester
SMILES:
COC(=O)c1cc(-c2ccc(C)cc2)cc(-n2nnnc2C(F)(F)F)c1Molecular Processing
Molecular formula
C17H13F3N4O2
Molecular weight
362.31
Exact mass
362.0991
XLogP
3.44
TPSA
69.9
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.176
Molar refractivity
85.67
Supplementary Information
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