Name: 5-(3,4-dimethyl-phenyl)-2-methyl-thiazole-4-carboxylic acid
SMILES:
Cc1nc(C(=O)O)c(-c2ccc(C)c(C)c2)s1Molecular Processing
Molecular formula
C13H13NO2S
Molecular weight
247.32
Exact mass
247.0667
XLogP
3.43
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.72
Supplementary Information
Details werden geladen…
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