Name: 5-[4'-(bromomethyl)-biphenyl-2-yl]-N-trityltetrazole
SMILES:
[N-]=[N+]=NCc1ccc(-c2ccccc2-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1Molecular Processing
Molecular formula
C33H25N7
Molecular weight
519.61
Exact mass
519.2171
XLogP
7.66
TPSA
92.36
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
40
Rings
6
Aromatic rings
6
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.061
Molar refractivity
156.14
Supplementary Information
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