Name: 4-(4-methoxybenzylthio)--nicotinic acid
SMILES:
COc1ccc(CSc2ccncc2C(=O)O)cc1Molecular Processing
Molecular formula
C14H13NO3S
Molecular weight
275.33
Exact mass
275.0616
XLogP
3.08
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
19
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
0.143
Molar refractivity
73.75
Supplementary Information
Details werden geladen…
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