이름: 4-amino-3-mercapto-5-(3,4,5-trimethoxyphenyl)-4H-1,2,4-triazole
SMILES:
COc1cc(-c2nnc(S)n2N)cc(OC)c1OCMolecular Processing
Molecular formula
C11H14N4O3S
Molecular weight
282.33
Exact mass
282.0787
XLogP
0.97
TPSA
84.42
H-bond donors
2
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
72.52
Supplementary Information
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