Name: 4-[4-(2-hydroxymethylbenzoyl)aminobutylthio]pyridine
SMILES:
O=C(NCCCCSc1ccncc1)c1ccccc1COMolecular Processing
Molecular formula
C17H20N2O2S
Molecular weight
316.43
Exact mass
316.1245
XLogP
2.88
TPSA
62.22
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
22
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
0.294
Molar refractivity
88.89
Supplementary Information
Details werden geladen…
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