이름: 4-[2-(4-chloro-phenyl)-5-ethyl-thiazol-4-yl]-10-oxa-tricyclo[5.2.1.0*2,6*]decane-3,5-dione
SMILES:
CCc1sc(-c2ccc(Cl)cc2)nc1C1C(=O)C2C3CCC(O3)C2C1=OMolecular Processing
Molecular formula
C20H18ClNO3S
Molecular weight
387.89
Exact mass
387.0696
XLogP
4.05
TPSA
56.26
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
26
Rings
5
Aromatic rings
2
Saturated rings
3
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
99.57
Supplementary Information
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