Name: 3-(5-Chloro-pyridin-2-yl)-5-(5-isopropyl-tetrazol-1-yl)-benzoic acid
SMILES:
CC(C)c1nnnn1-c1cc(C(=O)O)cc(-c2ccc(Cl)cn2)c1Molecular Processing
Molecular formula
C16H14ClN5O2
Molecular weight
343.77
Exact mass
343.0836
XLogP
3.2
TPSA
93.79
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
4
Heavy atoms
24
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
88.44
Supplementary Information
Details werden geladen…
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