CC1(C)SC(c2cccnc2)N(C=O)C1C(=O)O
Name: 2-(3-pyridinyl)-3-formyl-5,5-dimethyl-4-thiazolidinecarboxylic acid
SMILES: CC1(C)SC(c2cccnc2)N(C=O)C1C(=O)O

Molecular Processing

Molecular formula
C12H14N2O3S
Molecular weight
266.32
Exact mass
266.0725
XLogP
1.52
TPSA
70.5
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
67.97

Supplementary Information

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