Name: 1,2,3,4,8a,9,10,10a-octahydro-2,3-dimethylene-1,4-epoxy-anthracene-5,8-dione
SMILES:
C=C1C(=C)C2OC1C1=C2CC2C(=O)C=CC(=O)C2C1Molecular Processing
Molecular formula
C16H14O3
Molecular weight
254.28
Exact mass
254.0943
XLogP
1.91
TPSA
43.37
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
19
Rings
4
Aromatic rings
0
Saturated rings
1
Aliphatic rings
4
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.375
Molar refractivity
69.34
Supplementary Information
Details werden geladen…
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