Name: 3-[(E)-(tert-butylthio)diazenyl]-4-methylbenzoic acid
SMILES:
Cc1ccc(C(=O)O)cc1/N=N/SC(C)(C)CMolecular Processing
Molecular formula
C12H16N2O2S
Molecular weight
252.34
Exact mass
252.0932
XLogP
4.22
TPSA
62.02
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
70
Supplementary Information
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