CCC1=NC=C(S1)C2(CCC(=O)CC2)O
名称: 4-(2-ethyl-1,3-thiazol-5-yl)-4-hydroxycyclohexan-1-one
SMILES: CCC1=NC=C(S1)C2(CCC(=O)CC2)O

Molecular Processing

Molecular formula
C11H15NO2S
Molecular weight
225.31
Exact mass
225.0823
XLogP
2.04
TPSA
50.19
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
58.86

Supplementary Information

InChIKey: IWOXDPNPZHXTBA-UHFFFAOYSA-N
同義語
4-(2-ethyl-thiazol-5-yl)-4-hydroxy-cyclohexanoneSCHEMBL2483788IWOXDPNPZHXTBA-UHFFFAOYSA-N4-hydroxy-4-(2-ethyl-thiazol-5-yl)-cyclohexanone
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