Name: 2-phenyl-6-(tetrazol-5-yl)-isonicotinic acid
SMILES:
O=C(O)c1cc(-c2ccccc2)nc(-c2nnn[nH]2)c1Molecular Processing
Molecular formula
C13H9N5O2
Molecular weight
267.25
Exact mass
267.0756
XLogP
1.63
TPSA
104.65
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0
Molar refractivity
69.8
Supplementary Information
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