名称: 5-(3-Methoxy-phenyl)-4-pyridin-4-yl-2H-pyrazole-3-thiol
SMILES:
COc1cccc(-c2n[nH]c(S)c2-c2ccncc2)c1Molecular Processing
Molecular formula
C15H13N3OS
Molecular weight
283.36
Exact mass
283.0779
XLogP
3.44
TPSA
50.8
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
20
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.067
Molar refractivity
81.06
Supplementary Information
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