COc1ccc(CSc2cc(N)ncc2Br)cc1
Nombre: 4-(4-methoxybenzylthio)-5-bromopyridin-2-amine
SMILES: COc1ccc(CSc2cc(N)ncc2Br)cc1

Molecular Processing

Molecular formula
C13H13BrN2OS
Molecular weight
325.23
Exact mass
323.9932
XLogP
3.73
TPSA
48.14
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
18
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
0.154
Molar refractivity
78.9

Supplementary Information

Obteniendo detalles…

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