Nombre: 4-[1-(2-Methoxycyclohexyl)-1,2,3,4-tetrazol-5-yl]thio-butyric acid
SMILES:
COC1CCCCC1n1nnnc1CCCC(O)=SMolecular Processing
Molecular formula
C12H20N4O2S
Molecular weight
284.38
Exact mass
284.1307
XLogP
2.01
TPSA
73.06
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
6
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.833
Molar refractivity
74.28
Supplementary Information
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