Name: khellin
SMILES:
COc1c2occc2c(OC)c2c(=O)cc(C)oc12Molecular Processing
Molecular formula
C14H12O5
Molecular weight
260.24
Exact mass
260.0685
XLogP
2.86
TPSA
61.81
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
19
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
70.1
Supplementary Information
Details werden geladen…
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