이름: 2-[2-(5-methyl-3-pyridin-2-yl-isoxazol-4-yl)-ethyl]-thiazole-5-carboxylic acid
SMILES:
Cc1onc(-c2ccccn2)c1CCc1ncc(C(=O)O)s1Molecular Processing
Molecular formula
C15H13N3O3S
Molecular weight
315.35
Exact mass
315.0678
XLogP
2.98
TPSA
89.11
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
5
Heavy atoms
22
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
80.95
Supplementary Information
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