Name: 4-{2-[(2-hydroxy-1,1-dimethylethyl)amino]-1,3-thiazol-4-yl}benzonitrile
SMILES:
CC(C)(CO)Nc1nc(-c2ccc(C#N)cc2)cs1Molecular Processing
Molecular formula
C14H15N3OS
Molecular weight
273.36
Exact mass
273.0936
XLogP
2.86
TPSA
68.94
H-bond donors
2
H-bond acceptors
5
Rotatable bonds
4
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
0.286
Molar refractivity
77.05
Supplementary Information
Details werden geladen…
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