名称: 5-amino-4-(4H-1,2,4-triazol-3-yl)thiophene-3-carbonitrile
SMILES:
N#Cc1csc(N)c1-c1nnc[nH]1Molecular Processing
Molecular formula
C7H5N5S
Molecular weight
191.22
Exact mass
191.0266
XLogP
0.99
TPSA
91.38
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0
Molar refractivity
48.82
Supplementary Information
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