이름: 4-Allyl-3-hydroxy-5-mercapto-1,2,4-triazole
SMILES:
C=CCn1c(O)nnc1SMolecular Processing
Molecular formula
C5H7N3OS
Molecular weight
157.2
Exact mass
157.031
XLogP
0.46
TPSA
50.94
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
10
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
0.2
Molar refractivity
39.14
Supplementary Information
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