이름: 4-allyl-5-(3-pyridyl)-1,2,4-triazole-3(2H,4H)-thione
SMILES:
C=CCn1c(-c2cccnc2)n[nH]c1=SMolecular Processing
Molecular formula
C10H10N4S
Molecular weight
218.28
Exact mass
218.0626
XLogP
2.19
TPSA
46.5
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
60.84
Supplementary Information
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